1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol

C14H22N6O — CID 128980343

IUPAC1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESCC(C)n1ccnc1CN1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C14H22N6O/c1-11(2)20-7-5-15-13(20)9-19-6-3-4-14(21,10-19)12-8-16-18-17-12/h5,7-8,11,21H,3-4,6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyPXZJMOSRYIQEQV-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.07
Rot. Bonds4

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

1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol (PubChem CID 128980343) has the molecular formula C14H22N6O and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol.

Molecular Properties

Compound Name1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
PubChem CID128980343
Molecular FormulaC14H22N6O
Molecular Weight290.37 g/mol
Exact Mass290.19
IUPAC Name1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
SMILESCC(C)n1ccnc1CN1CCCC(O)(c2cn[nH]n2)C1
InChIInChI=1S/C14H22N6O/c1-11(2)20-7-5-15-13(20)9-19-6-3-4-14(21,10-19)12-8-16-18-17-12/h5,7-8,11,21H,3-4,6,9-10H2,1-2H3,(H,16,17,18)
InChIKeyPXZJMOSRYIQEQV-UHFFFAOYSA-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

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Related Compounds

1-[(2-methoxy-3-pyridinyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 154756855
1-[(1-hydroxy-4-methylcyclohexyl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 167954203
1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 128978600
(3S)-1-[(1-methylbenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129485616
N-[[(4R)-4-hydroxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide
CID 95893693
1-[2-(3,4-difluorophenyl)ethyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 167954603
(5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
CID 110156275
1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 167834795
(3R)-1-[(4-phenylphenyl)methyl]-3-(2H-triazol-4-yl)pyrrolidin-3-ol
CID 129484764
(3R)-2-(cyclopropanecarbonyl)-8-[(1-propan-2-ylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane-3-carboxylic acid
CID 95881007
4-phenyl-3-[(3R)-1-[(1-propan-2-ylimidazol-2-yl)methyl]piperidin-3-yl]-1H-1,2,4-triazol-5-one
CID 95201374
1-(cyclohexylmethylsulfonyl)-3-(2H-triazol-4-yl)piperidin-3-ol
CID 128975128

Frequently Asked Questions

What is the IUPAC name of 1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The IUPAC name of 1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol (CID 128980343) is 1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol.
What is the SMILES notation for 1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The canonical SMILES for 1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol is CC(C)n1ccnc1CN1CCCC(O)(c2cn[nH]n2)C1.
What is the InChIKey of 1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
The InChIKey is PXZJMOSRYIQEQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6O/c1-11(2)20-7-5-15-13(20)9-19-6-3-4-14(21,10-19)12-8-16-18-17-12/h5,7-8,11,21H,3-4,6,9-10H2,1-2H3,(H,16,17,18).
What are the key properties of 1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol?
1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-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 1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol is sourced from PubChem (CID 128980343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).