[1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol

C14H25N3O — CID 50957180

IUPAC[1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol
SMILESCC(C)CC1(CO)CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C14H25N3O/c1-12(2)8-14(11-18)4-3-7-17(10-14)9-13-15-5-6-16-13/h5-6,12,18H,3-4,7-11H2,1-2H3,(H,15,16)
InChIKeyGCUXMSLSWFAPCX-UHFFFAOYSA-N
MW251.37 g/mol
LogP2.03
Rot. Bonds5

About [1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol

[1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol (PubChem CID 50957180) has the molecular formula C14H25N3O and a molecular weight of 251.37 g/mol. Its IUPAC name is [1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol
PubChem CID50957180
Molecular FormulaC14H25N3O
Molecular Weight251.37 g/mol
Exact Mass251.20
IUPAC Name[1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol
SMILESCC(C)CC1(CO)CCCN(Cc2ncc[nH]2)C1
InChIInChI=1S/C14H25N3O/c1-12(2)8-14(11-18)4-3-7-17(10-14)9-13-15-5-6-16-13/h5-6,12,18H,3-4,7-11H2,1-2H3,(H,15,16)
InChIKeyGCUXMSLSWFAPCX-UHFFFAOYSA-N
XLogP2.03
TPSA52.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

{3-ethyl-1-[(1-propyl-1H-imidazol-2-yl)methyl]-3-piperidinyl}methanol
CID 72878540
(4S*)-1-(1H-imidazol-2-ylmethyl)-4-(methoxymethyl)-3,3-dimethylpiperidin-4-ol
CID 72865391
9-(1H-Imidazol-2-ylmethyl)-3-oxa-9-azaspiro[5.5]undecane
CID 74247280
[(3S)-1-(2-imidazol-1-ylethyl)-3-propylpiperidin-3-yl]methanol
CID 97120591
(2R)-2-cyclohexyl-2-(1H-imidazol-2-ylmethylamino)propan-1-ol
CID 164635126
3-[(2-methyl-1H-imidazol-3-ium-3-yl)methyl]tridecan-2-ol
CID 91217998
2,2,2-trifluoro-1-[1-(1H-imidazol-2-ylmethyl)piperidin-4-yl]ethanol
CID 112332382
[1-(1H-imidazol-2-ylmethyl)-4-(trifluoromethyl)piperidin-4-yl]methanol
CID 136563831
4-(1H-imidazol-2-yl)cyclohexan-1-ol
CID 18695351
4-(1H-imidazol-2-yl)-1-methylcyclohexan-1-ol
CID 18695365
2-Imidazolylcyclohexanol
CID 19908895
2-(1H-imidazol-2-yl)cycloheptan-1-ol
CID 19908898

Frequently Asked Questions

What is the IUPAC name of [1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol?
The IUPAC name of [1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol (CID 50957180) is [1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol.
What is the SMILES notation for [1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol?
The canonical SMILES for [1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol is CC(C)CC1(CO)CCCN(Cc2ncc[nH]2)C1.
What is the InChIKey of [1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol?
The InChIKey is GCUXMSLSWFAPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O/c1-12(2)8-14(11-18)4-3-7-17(10-14)9-13-15-5-6-16-13/h5-6,12,18H,3-4,7-11H2,1-2H3,(H,15,16).
What are the key properties of [1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol?
[1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol has a molecular weight of 251.37 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(1H-imidazol-2-ylmethyl)-3-(2-methylpropyl)piperidin-3-yl]methanol is sourced from PubChem (CID 50957180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).