1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

C20H29ClN4 — CID 42518255

IUPAC1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1nccn1C)CC1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN4/c1-23(16-20-22-10-14-24(20)2)15-18-8-12-25(13-9-18)11-7-17-3-5-19(21)6-4-17/h3-6,10,14,18H,7-9,11-13,15-16H2,1-2H3
InChIKeyRZCHUBFZBJSNKC-UHFFFAOYSA-N
MW360.93 g/mol
LogP3.46
Rot. Bonds7

About 1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine

1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (PubChem CID 42518255) has the molecular formula C20H29ClN4 and a molecular weight of 360.93 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
PubChem CID42518255
Molecular FormulaC20H29ClN4
Molecular Weight360.93 g/mol
Exact Mass360.21
IUPAC Name1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
SMILESCN(Cc1nccn1C)CC1CCN(CCc2ccc(Cl)cc2)CC1
InChIInChI=1S/C20H29ClN4/c1-23(16-20-22-10-14-24(20)2)15-18-8-12-25(13-9-18)11-7-17-3-5-19(21)6-4-17/h3-6,10,14,18H,7-9,11-13,15-16H2,1-2H3
InChIKeyRZCHUBFZBJSNKC-UHFFFAOYSA-N
XLogP3.46
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.93
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[4-[[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl-methylamino]methyl]phenyl]-2-methylbut-3-yn-2-ol
CID 42357192
1-[(3R)-1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-(pyridin-4-ylmethyl)methanamine
CID 42100663
4-(chloromethyl)-1-[2-(1-methylimidazol-2-yl)ethyl]piperidine
CID 114531735
4-chloro-N-[[1-[2-(1-methylimidazol-2-yl)ethyl]piperidin-4-yl]methyl]benzamide
CID 131911270
N-[(1-ethylimidazol-2-yl)methyl]-1-[(3R)-1-[2-(4-methoxyphenyl)ethyl]piperidin-3-yl]-N-methylmethanamine
CID 42517995
N-[(4-fluorophenyl)methyl]-1-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-N-methylmethanamine
CID 26407576
2-[(4-chlorophenyl)methyl]-1-methylimidazole
CID 143713939
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]methyl]-3-ethyl-N,1-dimethylpyrazole-5-carboxamide
CID 25454045
1-[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]-N-methyl-N-[(5-methyl-1H-pyrazol-3-yl)methyl]methanamine
CID 45243649
N-[[1-[2-(4-chlorophenyl)ethyl]piperidin-3-yl]methyl]-N-methyl-3-pyrazol-1-ylpropan-1-amine
CID 45238729
N-methyl-N-[[1-(2-pyridin-4-ylethyl)piperidin-4-yl]methyl]butan-1-amine
CID 78899315
1-(6-chloro-3-pyridinyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine
CID 55150335

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The IUPAC name of 1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine (CID 42518255) is 1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine.
What is the SMILES notation for 1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The canonical SMILES for 1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is CN(Cc1nccn1C)CC1CCN(CCc2ccc(Cl)cc2)CC1.
What is the InChIKey of 1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
The InChIKey is RZCHUBFZBJSNKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29ClN4/c1-23(16-20-22-10-14-24(20)2)15-18-8-12-25(13-9-18)11-7-17-3-5-19(21)6-4-17/h3-6,10,14,18H,7-9,11-13,15-16H2,1-2H3.
What are the key properties of 1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine?
1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine has a molecular weight of 360.93 g/mol, XLogP of 3.46, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenyl)ethyl]piperidin-4-yl]-N-methyl-N-[(1-methylimidazol-2-yl)methyl]methanamine is sourced from PubChem (CID 42518255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).