2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol

C111H171ClFN15O — CID 167649849

IUPAC2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol
SMILESC=C1C=C(N2CCCC(C(C)C)C2)N=CN1.CC(C)C1CC(F)CN(c2ccccc2)C1.CC(C)C1CCCN(c2cccc(Cl)n2)C1.CC(C)C1CN(c2ccccc2)CCC1O.CC1CC(C(C)C)CN(c2ccccc2)C1.CCc1cc(N2CCCC(C(C)C)C2)ccn1.Cc1cc(N2CCCC(C(C)C)C2)ncn1.Cc1ccc(N2CCCC(C(C)C)C2)cn1
InChIInChI=1S/C15H24N2.C15H23N.C14H20FN.C14H22N2.C14H21NO.C13H19ClN2.2C13H21N3/c1-4-14-10-15(7-8-16-14)17-9-5-6-13(11-17)12(2)3;1-12(2)14-9-13(3)10-16(11-14)15-7-5-4-6-8-15;1-11(2)12-8-13(15)10-16(9-12)14-6-4-3-5-7-14;1-11(2)13-5-4-8-16(10-13)14-7-6-12(3)15-9-14;1-11(2)13-10-15(9-8-14(13)16)12-6-4-3-5-7-12;1-10(2)11-5-4-8-16(9-11)13-7-3-6-12(14)15-13;2*1-10(2)12-5-4-6-16(8-12)13-7-11(3)14-9-15-13/h7-8,10,12-13H,4-6,9,11H2,1-3H3;4-8,12-14H,9-11H2,1-3H3;3-7,11-13H,8-10H2,1-2H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;3-7,11,13-14,16H,8-10H2,1-2H3;3,6-7,10-11H,4-5,8-9H2,1-2H3;7,9-10,12H,4-6,8H2,1-3H3;7,9-10,12H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyQKIPLMLRWWMFOE-UHFFFAOYSA-N
MW1786.14 g/mol
LogP25.23
Rot. Bonds17

About 2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol

2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol (PubChem CID 167649849) has the molecular formula C111H171ClFN15O and a molecular weight of 1786.14 g/mol. Its IUPAC name is 2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol
PubChem CID167649849
Molecular FormulaC111H171ClFN15O
Molecular Weight1786.14 g/mol
Exact Mass1784.35
IUPAC Name2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol
SMILESC=C1C=C(N2CCCC(C(C)C)C2)N=CN1.CC(C)C1CC(F)CN(c2ccccc2)C1.CC(C)C1CCCN(c2cccc(Cl)n2)C1.CC(C)C1CN(c2ccccc2)CCC1O.CC1CC(C(C)C)CN(c2ccccc2)C1.CCc1cc(N2CCCC(C(C)C)C2)ccn1.Cc1cc(N2CCCC(C(C)C)C2)ncn1.Cc1ccc(N2CCCC(C(C)C)C2)cn1
InChIInChI=1S/C15H24N2.C15H23N.C14H20FN.C14H22N2.C14H21NO.C13H19ClN2.2C13H21N3/c1-4-14-10-15(7-8-16-14)17-9-5-6-13(11-17)12(2)3;1-12(2)14-9-13(3)10-16(11-14)15-7-5-4-6-8-15;1-11(2)12-8-13(15)10-16(9-12)14-6-4-3-5-7-14;1-11(2)13-5-4-8-16(10-13)14-7-6-12(3)15-9-14;1-11(2)13-10-15(9-8-14(13)16)12-6-4-3-5-7-12;1-10(2)11-5-4-8-16(9-11)13-7-3-6-12(14)15-13;2*1-10(2)12-5-4-6-16(8-12)13-7-11(3)14-9-15-13/h7-8,10,12-13H,4-6,9,11H2,1-3H3;4-8,12-14H,9-11H2,1-3H3;3-7,11-13H,8-10H2,1-2H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;3-7,11,13-14,16H,8-10H2,1-2H3;3,6-7,10-11H,4-5,8-9H2,1-2H3;7,9-10,12H,4-6,8H2,1-3H3;7,9-10,12H,3-6,8H2,1-2H3,(H,14,15)
InChIKeyQKIPLMLRWWMFOE-UHFFFAOYSA-N
XLogP25.23
TPSA134.99 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds17
Heavy Atoms129
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001786.14
LogP ≤ 525.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze 2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol with MolForge

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Launch Full Analysis

Related Compounds

Pyrazine-Pyridine deriv. 8
CID 5330397
Egfr-IN-5
CID 134817166
3-[[5-[5-(3-Chloroanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 44387663
1-[5-[3-[(1S)-1-[[6-(4-chloro-3-fluorophenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]pyrimidin-2-yl]piperidin-4-ol
CID 70977263
US12448365, Example 30
CID 156376571
1-[1-[4-(3-Chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]piperidin-4-ol
CID 18946152
4-[(3-Chloro-4-fluorophenyl)amino]-6-[4-hydroxy-1-piperidinyl]pyrimido[5,4-d]pyrimidine
CID 18946167
[1-[4-(3-Chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-3-yl]methanol
CID 19709070
4-[[4-[[4-(3-Chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]amino]cyclohexyl]methylamino]cyclohexan-1-ol
CID 21830522
4-[[1-[4-(3-Chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]methylamino]cyclohexan-1-ol
CID 21830552
2-[[1-[4-(3-Chloro-4-fluoroanilino)pyrimido[5,4-d]pyrimidin-6-yl]piperidin-4-yl]methylamino]ethanol
CID 54270335
1-[5-[3-[1-[[6-(4-Chloro-3-fluorophenyl)-2-methylpyrimidin-4-yl]amino]ethyl]phenyl]pyrimidin-2-yl]piperidin-4-ol
CID 77961453

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol?
The IUPAC name of 2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol (CID 167649849) is 2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol is C=C1C=C(N2CCCC(C(C)C)C2)N=CN1.CC(C)C1CC(F)CN(c2ccccc2)C1.CC(C)C1CCCN(c2cccc(Cl)n2)C1.CC(C)C1CN(c2ccccc2)CCC1O.CC1CC(C(C)C)CN(c2ccccc2)C1.CCc1cc(N2CCCC(C(C)C)C2)ccn1.Cc1cc(N2CCCC(C(C)C)C2)ncn1.Cc1ccc(N2CCCC(C(C)C)C2)cn1.
What is the InChIKey of 2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol?
The InChIKey is QKIPLMLRWWMFOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2.C15H23N.C14H20FN.C14H22N2.C14H21NO.C13H19ClN2.2C13H21N3/c1-4-14-10-15(7-8-16-14)17-9-5-6-13(11-17)12(2)3;1-12(2)14-9-13(3)10-16(11-14)15-7-5-4-6-8-15;1-11(2)12-8-13(15)10-16(9-12)14-6-4-3-5-7-14;1-11(2)13-5-4-8-16(10-13)14-7-6-12(3)15-9-14;1-11(2)13-10-15(9-8-14(13)16)12-6-4-3-5-7-12;1-10(2)11-5-4-8-16(9-11)13-7-3-6-12(14)15-13;2*1-10(2)12-5-4-6-16(8-12)13-7-11(3)14-9-15-13/h7-8,10,12-13H,4-6,9,11H2,1-3H3;4-8,12-14H,9-11H2,1-3H3;3-7,11-13H,8-10H2,1-2H3;6-7,9,11,13H,4-5,8,10H2,1-3H3;3-7,11,13-14,16H,8-10H2,1-2H3;3,6-7,10-11H,4-5,8-9H2,1-2H3;7,9-10,12H,4-6,8H2,1-3H3;7,9-10,12H,3-6,8H2,1-2H3,(H,14,15).
What are the key properties of 2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol?
2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol has a molecular weight of 1786.14 g/mol, XLogP of 25.23, 17 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-propan-2-ylpiperidin-1-yl)pyridine;2-ethyl-4-(3-propan-2-ylpiperidin-1-yl)pyridine;3-fluoro-1-phenyl-5-propan-2-ylpiperidine;6-methylidene-4-(3-propan-2-ylpiperidin-1-yl)-1H-pyrimidine;3-methyl-1-phenyl-5-propan-2-ylpiperidine;2-methyl-5-(3-propan-2-ylpiperidin-1-yl)pyridine;4-methyl-6-(3-propan-2-ylpiperidin-1-yl)pyrimidine;1-phenyl-3-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 167649849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).