(3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

C14H22N6O — CID 129483645

IUPAC(3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc([C@]2(O)CCCN(Cc3cnc[nH]3)C2)nn1
InChIInChI=1S/C14H22N6O/c1-11(2)20-8-13(17-18-20)14(21)4-3-5-19(9-14)7-12-6-15-10-16-12/h6,8,10-11,21H,3-5,7,9H2,1-2H3,(H,15,16)/t14-/m0/s1
InChIKeySKZVKFORWUESAD-AWEZNQCLSA-N
MW290.37 g/mol
LogP1.07
Rot. Bonds4

About (3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol

(3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (PubChem CID 129483645) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is (3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
PubChem CID129483645
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name(3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
SMILESCC(C)n1cc([C@]2(O)CCCN(Cc3cnc[nH]3)C2)nn1
InChIInChI=1S/C14H22N6O/c1-11(2)20-8-13(17-18-20)14(21)4-3-5-19(9-14)7-12-6-15-10-16-12/h6,8,10-11,21H,3-5,7,9H2,1-2H3,(H,15,16)/t14-/m0/s1
InChIKeySKZVKFORWUESAD-AWEZNQCLSA-N
XLogP1.07
TPSA82.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-[(3-methylimidazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486298
1-(2,3-dihydro-1H-inden-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128969366
1-[[1-(2-methylpropyl)pyrazol-4-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979150
1-[(1-methylpyrrol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979140
(3R)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483062
(3R)-1-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129483683
1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128979187
(3R)-1-[(3-methoxyphenyl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129486038
(3S)-1-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484561
1-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980369
1-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 128980356
(3R)-1-(1,3-benzodioxol-4-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol
CID 129484602

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The IUPAC name of (3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol (CID 129483645) is (3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol.
What is the SMILES notation for (3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The canonical SMILES for (3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is CC(C)n1cc([C@]2(O)CCCN(Cc3cnc[nH]3)C2)nn1.
What is the InChIKey of (3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
The InChIKey is SKZVKFORWUESAD-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11(2)20-8-13(17-18-20)14(21)4-3-5-19(9-14)7-12-6-15-10-16-12/h6,8,10-11,21H,3-5,7,9H2,1-2H3,(H,15,16)/t14-/m0/s1.
What are the key properties of (3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol?
(3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol has a molecular weight of 290.37 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(1H-imidazol-5-ylmethyl)-3-(1-propan-2-yltriazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 129483645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).