1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine

C15H23ClN2 — CID 55165098

IUPAC1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine
SMILESCN(Cc1ccc(Cl)cc1)CC1(C)CCCNC1
InChIInChI=1S/C15H23ClN2/c1-15(8-3-9-17-11-15)12-18(2)10-13-4-6-14(16)7-5-13/h4-7,17H,3,8-12H2,1-2H3
InChIKeyHUPZMCQQYOYSBU-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.16
Rot. Bonds4

About 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine

1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine (PubChem CID 55165098) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine
PubChem CID55165098
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine
SMILESCN(Cc1ccc(Cl)cc1)CC1(C)CCCNC1
InChIInChI=1S/C15H23ClN2/c1-15(8-3-9-17-11-15)12-18(2)10-13-4-6-14(16)7-5-13/h4-7,17H,3,8-12H2,1-2H3
InChIKeyHUPZMCQQYOYSBU-UHFFFAOYSA-N
XLogP3.16
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-ethylpiperidin-3-yl)methyl]-1-(4-fluorophenyl)-N-methylmethanamine
CID 63133387
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]propan-2-amine;hydrochloride
CID 120900789
1-[4-(difluoromethoxy)phenyl]-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120897419
N-[(4-chlorophenyl)methyl]-N,3,3-trimethylpiperidin-4-amine
CID 114235700
2-(4-chlorophenoxy)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]ethanamine
CID 120897491
2-[[(4-chlorophenyl)methyl-methylamino]methyl]-2-methylcyclopentan-1-amine
CID 82767316
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine;hydrochloride
CID 120899620
2,2,2-trifluoro-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]ethanamine
CID 63132921
N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-1-phenylmethanamine
CID 63122886
2-methoxy-4-[[methyl-[(3-methylpyrrolidin-3-yl)methyl]amino]methyl]phenol;hydrochloride
CID 120898104
1-(3,5-dimethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898706
1-(4-chlorophenyl)-N-methyl-N-[[1-(methylaminomethyl)cyclopropyl]methyl]methanamine
CID 115244797

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine?
The IUPAC name of 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine (CID 55165098) is 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine.
What is the SMILES notation for 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine?
The canonical SMILES for 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine is CN(Cc1ccc(Cl)cc1)CC1(C)CCCNC1.
What is the InChIKey of 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine?
The InChIKey is HUPZMCQQYOYSBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-15(8-3-9-17-11-15)12-18(2)10-13-4-6-14(16)7-5-13/h4-7,17H,3,8-12H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine?
1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine has a molecular weight of 266.82 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-N-methyl-N-[(3-methylpiperidin-3-yl)methyl]methanamine is sourced from PubChem (CID 55165098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).