4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane

C152H266ClN25O8 — CID 161169298

IUPAC4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane
SMILESC#CCN(C)C(C)C.CC(C)(C)N1CCC(N2CCOCC2)C1.CC(C)(C)N1CCC(O)(Cc2ccccc2)CC1.CC(C)(C)N1CCC(O)(c2ccc(Cl)cc2)CC1.CC(C)(C)N1CCC2(CC1)C(=O)NCN2c1ccccc1.CC(C)(C)N1CCCCC1CO.CC(C)(C)N1CCN(C(=O)c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)C.CC(C)C.CC(C)N(C)Cc1cccnc1.CC(C)N1CCN(CCN2CCOCC2)CC1.OCCCN1CCNCC1.c1cnc(N2CCCNCC2)nc1
InChIInChI=1S/C17H25N3O.C16H25NO.C15H22ClNO.C15H22N2O.C13H27N3O.C13H21N3.C12H24N2O.C10H16N2.C10H21NO.C9H14N4.C7H16N2O.C7H13N.2C4H10/c1-16(2,3)19-11-9-17(10-12-19)15(21)18-13-20(17)14-7-5-4-6-8-14;1-15(2,3)17-11-9-16(18,10-12-17)13-14-7-5-4-6-8-14;1-14(2,3)17-10-8-15(18,9-11-17)12-4-6-13(16)7-5-12;1-15(2,3)17-11-9-16(10-12-17)14(18)13-7-5-4-6-8-13;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)14-5-4-11(10-14)13-6-8-15-9-7-13;1-9(2)12(3)8-10-5-4-6-11-7-10;1-10(2,3)11-7-5-4-6-9(11)8-12;1-4-11-9(12-5-1)13-7-2-3-10-6-8-13;10-7-1-4-9-5-2-8-3-6-9;1-5-6-8(4)7(2)3;2*1-4(2)3/h4-8H,9-13H2,1-3H3,(H,18,21);4-8,18H,9-13H2,1-3H3;4-7,18H,8-11H2,1-3H3;4-8H,9-12H2,1-3H3;13H,3-12H2,1-2H3;4-7H,8-11H2,1-3H3;11H,4-10H2,1-3H3;4-7,9H,8H2,1-3H3;9,12H,4-8H2,1-3H3;1,4-5,10H,2-3,6-8H2;8,10H,1-7H2;1,7H,6H2,2-4H3;2*4H,1-3H3
InChIKeyUQYSOOUPDYENIN-UHFFFAOYSA-N
MW2607.42 g/mol
LogP21.66
Rot. Bonds21

About 4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane

4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane (PubChem CID 161169298) has the molecular formula C152H266ClN25O8 and a molecular weight of 2607.42 g/mol. Its IUPAC name is 4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane.

Molecular Properties

Compound Name4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane
PubChem CID161169298
Molecular FormulaC152H266ClN25O8
Molecular Weight2607.42 g/mol
Exact Mass2605.09
IUPAC Name4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane
SMILESC#CCN(C)C(C)C.CC(C)(C)N1CCC(N2CCOCC2)C1.CC(C)(C)N1CCC(O)(Cc2ccccc2)CC1.CC(C)(C)N1CCC(O)(c2ccc(Cl)cc2)CC1.CC(C)(C)N1CCC2(CC1)C(=O)NCN2c1ccccc1.CC(C)(C)N1CCCCC1CO.CC(C)(C)N1CCN(C(=O)c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)C.CC(C)C.CC(C)N(C)Cc1cccnc1.CC(C)N1CCN(CCN2CCOCC2)CC1.OCCCN1CCNCC1.c1cnc(N2CCCNCC2)nc1
InChIInChI=1S/C17H25N3O.C16H25NO.C15H22ClNO.C15H22N2O.C13H27N3O.C13H21N3.C12H24N2O.C10H16N2.C10H21NO.C9H14N4.C7H16N2O.C7H13N.2C4H10/c1-16(2,3)19-11-9-17(10-12-19)15(21)18-13-20(17)14-7-5-4-6-8-14;1-15(2,3)17-11-9-16(18,10-12-17)13-14-7-5-4-6-8-14;1-14(2,3)17-10-8-15(18,9-11-17)12-4-6-13(16)7-5-12;1-15(2,3)17-11-9-16(10-12-17)14(18)13-7-5-4-6-8-13;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)14-5-4-11(10-14)13-6-8-15-9-7-13;1-9(2)12(3)8-10-5-4-6-11-7-10;1-10(2,3)11-7-5-4-6-9(11)8-12;1-4-11-9(12-5-1)13-7-2-3-10-6-8-13;10-7-1-4-9-5-2-8-3-6-9;1-5-6-8(4)7(2)3;2*1-4(2)3/h4-8H,9-13H2,1-3H3,(H,18,21);4-8,18H,9-13H2,1-3H3;4-7,18H,8-11H2,1-3H3;4-8H,9-12H2,1-3H3;13H,3-12H2,1-2H3;4-7H,8-11H2,1-3H3;11H,4-10H2,1-3H3;4-7,9H,8H2,1-3H3;9,12H,4-8H2,1-3H3;1,4-5,10H,2-3,6-8H2;8,10H,1-7H2;1,7H,6H2,2-4H3;2*4H,1-3H3
InChIKeyUQYSOOUPDYENIN-UHFFFAOYSA-N
XLogP21.66
TPSA279.49 Ų
H-Bond Donors7
H-Bond Acceptors31
Rotatable Bonds21
Heavy Atoms186
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002607.42
LogP ≤ 521.66
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane?
The IUPAC name of 4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane (CID 161169298) is 4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane.
What is the SMILES notation for 4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane?
The canonical SMILES for 4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane is C#CCN(C)C(C)C.CC(C)(C)N1CCC(N2CCOCC2)C1.CC(C)(C)N1CCC(O)(Cc2ccccc2)CC1.CC(C)(C)N1CCC(O)(c2ccc(Cl)cc2)CC1.CC(C)(C)N1CCC2(CC1)C(=O)NCN2c1ccccc1.CC(C)(C)N1CCCCC1CO.CC(C)(C)N1CCN(C(=O)c2ccccc2)CC1.CC(C)(C)N1CCN(c2ccccn2)CC1.CC(C)C.CC(C)C.CC(C)N(C)Cc1cccnc1.CC(C)N1CCN(CCN2CCOCC2)CC1.OCCCN1CCNCC1.c1cnc(N2CCCNCC2)nc1.
What is the InChIKey of 4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane?
The InChIKey is UQYSOOUPDYENIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O.C16H25NO.C15H22ClNO.C15H22N2O.C13H27N3O.C13H21N3.C12H24N2O.C10H16N2.C10H21NO.C9H14N4.C7H16N2O.C7H13N.2C4H10/c1-16(2,3)19-11-9-17(10-12-19)15(21)18-13-20(17)14-7-5-4-6-8-14;1-15(2,3)17-11-9-16(18,10-12-17)13-14-7-5-4-6-8-14;1-14(2,3)17-10-8-15(18,9-11-17)12-4-6-13(16)7-5-12;1-15(2,3)17-11-9-16(10-12-17)14(18)13-7-5-4-6-8-13;1-13(2)16-7-5-14(6-8-16)3-4-15-9-11-17-12-10-15;1-13(2,3)16-10-8-15(9-11-16)12-6-4-5-7-14-12;1-12(2,3)14-5-4-11(10-14)13-6-8-15-9-7-13;1-9(2)12(3)8-10-5-4-6-11-7-10;1-10(2,3)11-7-5-4-6-9(11)8-12;1-4-11-9(12-5-1)13-7-2-3-10-6-8-13;10-7-1-4-9-5-2-8-3-6-9;1-5-6-8(4)7(2)3;2*1-4(2)3/h4-8H,9-13H2,1-3H3,(H,18,21);4-8,18H,9-13H2,1-3H3;4-7,18H,8-11H2,1-3H3;4-8H,9-12H2,1-3H3;13H,3-12H2,1-2H3;4-7H,8-11H2,1-3H3;11H,4-10H2,1-3H3;4-7,9H,8H2,1-3H3;9,12H,4-8H2,1-3H3;1,4-5,10H,2-3,6-8H2;8,10H,1-7H2;1,7H,6H2,2-4H3;2*4H,1-3H3.
What are the key properties of 4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane?
4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane has a molecular weight of 2607.42 g/mol, XLogP of 21.66, 21 rotatable bonds, 7 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-1-tert-butylpiperidin-4-ol;1-tert-butyl-4-(4-chlorophenyl)piperidin-4-ol;8-tert-butyl-1-phenyl-1,3,8-triazaspiro[4.5]decan-4-one;(4-tert-butylpiperazin-1-yl)-phenylmethanone;(1-tert-butylpiperidin-2-yl)methanol;1-tert-butyl-4-pyridin-2-ylpiperazine;4-(1-tert-butylpyrrolidin-3-yl)morpholine;bis(2-methylpropane);N-methyl-N-prop-2-ynylpropan-2-amine;N-methyl-N-(pyridin-3-ylmethyl)propan-2-amine;3-piperazin-1-ylpropan-1-ol;4-[2-(4-propan-2-ylpiperazin-1-yl)ethyl]morpholine;1-pyrimidin-2-yl-1,4-diazepane is sourced from PubChem (CID 161169298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).