[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol

C12H21N3O — CID 62735695

IUPAC[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
SMILESCCn1ccnc1CN1CCCC(CO)C1
InChIInChI=1S/C12H21N3O/c1-2-15-7-5-13-12(15)9-14-6-3-4-11(8-14)10-16/h5,7,11,16H,2-4,6,8-10H2,1H3
InChIKeyXQPCXTPLCFDOLR-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.11
Rot. Bonds4

About [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol

[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol (PubChem CID 62735695) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
PubChem CID62735695
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
SMILESCCn1ccnc1CN1CCCC(CO)C1
InChIInChI=1S/C12H21N3O/c1-2-15-7-5-13-12(15)9-14-6-3-4-11(8-14)10-16/h5,7,11,16H,2-4,6,8-10H2,1H3
InChIKeyXQPCXTPLCFDOLR-UHFFFAOYSA-N
XLogP1.11
TPSA41.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
(3S)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-ol
CID 107226188
1-[(1-ethylimidazol-2-yl)methyl]-N-methylpiperidin-3-amine
CID 62736422
N-[[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-2-methylpropan-2-amine
CID 63848659
1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-amine
CID 62736236
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide
CID 42098387
1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine
CID 45199047
N-[[1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 56715514
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]pyrrolidin-3-yl]methyl]cyclohexanecarboxamide
CID 95211408
3-ethyl-1-[(1-ethylimidazol-2-yl)methyl]piperidin-4-amine
CID 81460655
[(3S)-1-ethylpiperidin-3-yl]methanol
CID 26722496
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]-(3-methylthiophen-2-yl)methanone
CID 45232578

Frequently Asked Questions

What is the IUPAC name of [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol?
The IUPAC name of [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol (CID 62735695) is [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol.
What is the SMILES notation for [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol?
The canonical SMILES for [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol is CCn1ccnc1CN1CCCC(CO)C1.
What is the InChIKey of [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol?
The InChIKey is XQPCXTPLCFDOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-2-15-7-5-13-12(15)9-14-6-3-4-11(8-14)10-16/h5,7,11,16H,2-4,6,8-10H2,1H3.
What are the key properties of [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol?
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol has a molecular weight of 223.32 g/mol, XLogP of 1.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol is sourced from PubChem (CID 62735695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).