1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine

C20H29N3O — CID 45199047

IUPAC1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine
SMILESCCn1ccnc1CN1CCCC(CCc2cccc(OC)c2)C1
InChIInChI=1S/C20H29N3O/c1-3-23-13-11-21-20(23)16-22-12-5-7-18(15-22)10-9-17-6-4-8-19(14-17)24-2/h4,6,8,11,13-14,18H,3,5,7,9-10,12,15-16H2,1-2H3
InChIKeyXUTAUUPKVXRRQN-UHFFFAOYSA-N
MW327.47 g/mol
LogP3.76
Rot. Bonds7

About 1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine

1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine (PubChem CID 45199047) has the molecular formula C20H29N3O and a molecular weight of 327.47 g/mol. Its IUPAC name is 1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine.

Molecular Properties

Compound Name1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine
PubChem CID45199047
Molecular FormulaC20H29N3O
Molecular Weight327.47 g/mol
Exact Mass327.23
IUPAC Name1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine
SMILESCCn1ccnc1CN1CCCC(CCc2cccc(OC)c2)C1
InChIInChI=1S/C20H29N3O/c1-3-23-13-11-21-20(23)16-22-12-5-7-18(15-22)10-9-17-6-4-8-19(14-17)24-2/h4,6,8,11,13-14,18H,3,5,7,9-10,12,15-16H2,1-2H3
InChIKeyXUTAUUPKVXRRQN-UHFFFAOYSA-N
XLogP3.76
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.47
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-[(1-methylimidazol-2-yl)methyl]-3-[2-[3-(trifluoromethyl)phenyl]ethyl]piperidine
CID 95539312
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methanol
CID 62735695
(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-amine
CID 94576709
N-[[(3R)-1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]methyl]-3,5-dimethoxybenzamide
CID 42098387
(1-ethylpiperidin-4-yl)-[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]methanone
CID 25298064
(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-(5-chloro-2-methoxyphenyl)-3-[1-[(1-ethylimidazol-2-yl)methyl]piperidin-3-yl]propanamide
CID 45210622
1-[3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-3-pyrazol-1-ylpropan-1-one
CID 45219675
4-[[(3R)-3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]methyl]pyridine
CID 95727874
N-[(1-ethylimidazol-2-yl)methyl]-1-[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42517995

Frequently Asked Questions

What is the IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine?
The IUPAC name of 1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine (CID 45199047) is 1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine.
What is the SMILES notation for 1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine?
The canonical SMILES for 1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine is CCn1ccnc1CN1CCCC(CCc2cccc(OC)c2)C1.
What is the InChIKey of 1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine?
The InChIKey is XUTAUUPKVXRRQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O/c1-3-23-13-11-21-20(23)16-22-12-5-7-18(15-22)10-9-17-6-4-8-19(14-17)24-2/h4,6,8,11,13-14,18H,3,5,7,9-10,12,15-16H2,1-2H3.
What are the key properties of 1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine?
1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine has a molecular weight of 327.47 g/mol, XLogP of 3.76, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-ethylimidazol-2-yl)methyl]-3-[2-(3-methoxyphenyl)ethyl]piperidine is sourced from PubChem (CID 45199047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).