2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile

C150H202ClF10N19O3 — CID 157389905

IUPAC2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile
SMILESC=C(C)c1cc(F)c(CN2CCC(CC#N)(C(C)C)C(F)C2)cc1O.CC(C)(C)C1(CC#N)CCN(Cc2cc(O)ccc2Cl)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(C3=CCCC3)c(O)c2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(C3=CCCCC3)nc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(C3CCCCC3)cc2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(C3=CCCC3)nc2F)CC1F.Cc1cnn(-c2ccc(CN3CCC(CC#N)(C(C)(C)C)C(F)C3)cc2)n1
InChIInChI=1S/C24H35FN2.C23H31F2N3.C23H31FN2O.C21H27F2N3.C21H28FN5.C20H26F2N2O.C18H24ClFN2O/c1-23(2,3)24(13-15-26)14-16-27(18-22(24)25)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20;1-22(2,3)23(11-13-26)12-14-28(16-20(23)24)15-18-9-10-19(27-21(18)25)17-7-5-4-6-8-17;1-22(2,3)23(10-12-25)11-13-26(16-21(23)24)15-17-8-9-19(20(27)14-17)18-6-4-5-7-18;1-15(2)21(9-11-24)10-12-26(14-19(21)22)13-17-7-8-18(25-20(17)23)16-5-3-4-6-16;1-16-13-24-27(25-16)18-7-5-17(6-8-18)14-26-12-10-21(9-11-23,19(22)15-26)20(2,3)4;1-13(2)16-10-17(21)15(9-18(16)25)11-24-8-6-20(5-7-23,14(3)4)19(22)12-24;1-17(2,3)18(6-8-21)7-9-22(12-16(18)20)11-13-10-14(23)4-5-15(13)19/h9-12,20,22H,4-8,13-14,16-18H2,1-3H3;7,9-10,20H,4-6,8,11-12,14-16H2,1-3H3;6,8-9,14,21,27H,4-5,7,10-11,13,15-16H2,1-3H3;5,7-8,15,19H,3-4,6,9-10,12-14H2,1-2H3;5-8,13,19H,9-10,12,14-15H2,1-4H3;9-10,14,19,25H,1,5-6,8,11-12H2,2-4H3;4-5,10,16,23H,6-7,9,11-12H2,1-3H3
InChIKeyBLWNVSPMJCUQSA-UHFFFAOYSA-N
MW2544.83 g/mol
LogP35.50
Rot. Bonds29

About 2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile

2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile (PubChem CID 157389905) has the molecular formula C150H202ClF10N19O3 and a molecular weight of 2544.83 g/mol. Its IUPAC name is 2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile.

Molecular Properties

Compound Name2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile
PubChem CID157389905
Molecular FormulaC150H202ClF10N19O3
Molecular Weight2544.83 g/mol
Exact Mass2542.58
IUPAC Name2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile
SMILESC=C(C)c1cc(F)c(CN2CCC(CC#N)(C(C)C)C(F)C2)cc1O.CC(C)(C)C1(CC#N)CCN(Cc2cc(O)ccc2Cl)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(C3=CCCC3)c(O)c2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(C3=CCCCC3)nc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(C3CCCCC3)cc2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(C3=CCCC3)nc2F)CC1F.Cc1cnn(-c2ccc(CN3CCC(CC#N)(C(C)(C)C)C(F)C3)cc2)n1
InChIInChI=1S/C24H35FN2.C23H31F2N3.C23H31FN2O.C21H27F2N3.C21H28FN5.C20H26F2N2O.C18H24ClFN2O/c1-23(2,3)24(13-15-26)14-16-27(18-22(24)25)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20;1-22(2,3)23(11-13-26)12-14-28(16-20(23)24)15-18-9-10-19(27-21(18)25)17-7-5-4-6-8-17;1-22(2,3)23(10-12-25)11-13-26(16-21(23)24)15-17-8-9-19(20(27)14-17)18-6-4-5-7-18;1-15(2)21(9-11-24)10-12-26(14-19(21)22)13-17-7-8-18(25-20(17)23)16-5-3-4-6-16;1-16-13-24-27(25-16)18-7-5-17(6-8-18)14-26-12-10-21(9-11-23,19(22)15-26)20(2,3)4;1-13(2)16-10-17(21)15(9-18(16)25)11-24-8-6-20(5-7-23,14(3)4)19(22)12-24;1-17(2,3)18(6-8-21)7-9-22(12-16(18)20)11-13-10-14(23)4-5-15(13)19/h9-12,20,22H,4-8,13-14,16-18H2,1-3H3;7,9-10,20H,4-6,8,11-12,14-16H2,1-3H3;6,8-9,14,21,27H,4-5,7,10-11,13,15-16H2,1-3H3;5,7-8,15,19H,3-4,6,9-10,12-14H2,1-2H3;5-8,13,19H,9-10,12,14-15H2,1-4H3;9-10,14,19,25H,1,5-6,8,11-12H2,2-4H3;4-5,10,16,23H,6-7,9,11-12H2,1-3H3
InChIKeyBLWNVSPMJCUQSA-UHFFFAOYSA-N
XLogP35.50
TPSA306.39 Ų
H-Bond Donors3
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms183
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002544.83
LogP ≤ 535.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile?
The IUPAC name of 2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile (CID 157389905) is 2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile.
What is the SMILES notation for 2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile?
The canonical SMILES for 2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile is C=C(C)c1cc(F)c(CN2CCC(CC#N)(C(C)C)C(F)C2)cc1O.CC(C)(C)C1(CC#N)CCN(Cc2cc(O)ccc2Cl)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(C3=CCCC3)c(O)c2)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(C3=CCCCC3)nc2F)CC1F.CC(C)(C)C1(CC#N)CCN(Cc2ccc(C3CCCCC3)cc2)CC1F.CC(C)C1(CC#N)CCN(Cc2ccc(C3=CCCC3)nc2F)CC1F.Cc1cnn(-c2ccc(CN3CCC(CC#N)(C(C)(C)C)C(F)C3)cc2)n1.
What is the InChIKey of 2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile?
The InChIKey is BLWNVSPMJCUQSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H35FN2.C23H31F2N3.C23H31FN2O.C21H27F2N3.C21H28FN5.C20H26F2N2O.C18H24ClFN2O/c1-23(2,3)24(13-15-26)14-16-27(18-22(24)25)17-19-9-11-21(12-10-19)20-7-5-4-6-8-20;1-22(2,3)23(11-13-26)12-14-28(16-20(23)24)15-18-9-10-19(27-21(18)25)17-7-5-4-6-8-17;1-22(2,3)23(10-12-25)11-13-26(16-21(23)24)15-17-8-9-19(20(27)14-17)18-6-4-5-7-18;1-15(2)21(9-11-24)10-12-26(14-19(21)22)13-17-7-8-18(25-20(17)23)16-5-3-4-6-16;1-16-13-24-27(25-16)18-7-5-17(6-8-18)14-26-12-10-21(9-11-23,19(22)15-26)20(2,3)4;1-13(2)16-10-17(21)15(9-18(16)25)11-24-8-6-20(5-7-23,14(3)4)19(22)12-24;1-17(2,3)18(6-8-21)7-9-22(12-16(18)20)11-13-10-14(23)4-5-15(13)19/h9-12,20,22H,4-8,13-14,16-18H2,1-3H3;7,9-10,20H,4-6,8,11-12,14-16H2,1-3H3;6,8-9,14,21,27H,4-5,7,10-11,13,15-16H2,1-3H3;5,7-8,15,19H,3-4,6,9-10,12-14H2,1-2H3;5-8,13,19H,9-10,12,14-15H2,1-4H3;9-10,14,19,25H,1,5-6,8,11-12H2,2-4H3;4-5,10,16,23H,6-7,9,11-12H2,1-3H3.
What are the key properties of 2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile?
2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile has a molecular weight of 2544.83 g/mol, XLogP of 35.50, 29 rotatable bonds, 3 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-tert-butyl-1-[(2-chloro-5-hydroxyphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[6-(cyclohexen-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[(4-cyclohexylphenyl)methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-1-[[4-(cyclopenten-1-yl)-3-hydroxyphenyl]methyl]-3-fluoropiperidin-4-yl]acetonitrile;2-[4-tert-butyl-3-fluoro-1-[[4-(4-methyltriazol-2-yl)phenyl]methyl]piperidin-4-yl]acetonitrile;2-[1-[[6-(cyclopenten-1-yl)-2-fluoro-3-pyridinyl]methyl]-3-fluoro-4-propan-2-ylpiperidin-4-yl]acetonitrile;2-[3-fluoro-1-[(2-fluoro-5-hydroxy-4-prop-1-en-2-ylphenyl)methyl]-4-propan-2-ylpiperidin-4-yl]acetonitrile is sourced from PubChem (CID 157389905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).