1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol

C15H26N4O2 — CID 167954203

IUPAC1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESCC1CCC(O)(CN2CCCC(O)(c3cn[nH]n3)C2)CC1
InChIInChI=1S/C15H26N4O2/c1-12-3-6-14(20,7-4-12)10-19-8-2-5-15(21,11-19)13-9-16-18-17-13/h9,12,20-21H,2-8,10-11H2,1H3,(H,16,17,18)
InChIKeyAEAFXTWYKILOTN-UHFFFAOYSA-N
MW294.40 g/mol
LogP1.03
Rot. Bonds3

About 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol

1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol (PubChem CID 167954203) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
PubChem CID167954203
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Name1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESCC1CCC(O)(CN2CCCC(O)(c3cn[nH]n3)C2)CC1
InChIInChI=1S/C15H26N4O2/c1-12-3-6-14(20,7-4-12)10-19-8-2-5-15(21,11-19)13-9-16-18-17-13/h9,12,20-21H,2-8,10-11H2,1H3,(H,16,17,18)
InChIKeyAEAFXTWYKILOTN-UHFFFAOYSA-N
XLogP1.03
TPSA85.27 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol with MolForge

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Related Compounds

N-cyclopentyl-N-cyclopropyl-2-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]acetamide
CID 128980324
1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 128980343
1-(1,4-dioxa-9-azaspiro[4.5]decan-9-ylmethyl)-4-methylcyclohexan-1-ol
CID 75434952
1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol
CID 128975128
4-methyl-1-(1,4-thiazepan-4-ylmethyl)cyclohexan-1-ol
CID 127681814
1-[2-(4-methoxyphenyl)ethyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 154756940
[4-(cyclopropylmethoxy)phenyl]-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 167902588
(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129484764
1-(2,4-dimethylphenyl)sulfonyl-3-(2H-triazol-4-yl)piperidin-3-ol
CID 167810469
(3-ethyl-4-pyridinyl)-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]methanone
CID 128981867
1-[(4-methylpiperidin-1-yl)methyl]cyclobutan-1-ol
CID 115692712
1-[3-hydroxy-3-(2H-triazol-4-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 128981838

Frequently Asked Questions

What is the IUPAC name of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol (CID 167954203) is 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol is CC1CCC(O)(CN2CCCC(O)(c3cn[nH]n3)C2)CC1.
What is the InChIKey of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The InChIKey is AEAFXTWYKILOTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-12-3-6-14(20,7-4-12)10-19-8-2-5-15(21,11-19)13-9-16-18-17-13/h9,12,20-21H,2-8,10-11H2,1H3,(H,16,17,18).
What are the key properties of 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol has a molecular weight of 294.40 g/mol, XLogP of 1.03, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 167954203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).