1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine

C15H23ClN2 — CID 63122734

IUPAC1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine
SMILESCN(Cc1ccccc1Cl)CC1(C)CCNCC1
InChIInChI=1S/C15H23ClN2/c1-15(7-9-17-10-8-15)12-18(2)11-13-5-3-4-6-14(13)16/h3-6,17H,7-12H2,1-2H3
InChIKeyQCRCMODHKWHJBR-UHFFFAOYSA-N
MW266.82 g/mol
LogP3.16
Rot. Bonds4

About 1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine

1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine (PubChem CID 63122734) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine.

Molecular Properties

Compound Name1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine
PubChem CID63122734
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine
SMILESCN(Cc1ccccc1Cl)CC1(C)CCNCC1
InChIInChI=1S/C15H23ClN2/c1-15(7-9-17-10-8-15)12-18(2)11-13-5-3-4-6-14(13)16/h3-6,17H,7-12H2,1-2H3
InChIKeyQCRCMODHKWHJBR-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-methyl-N-[(4-methylpiperidin-4-yl)methyl]-1-phenylmethanamine
CID 63122886
1-(2-methoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 63142889
1-(2-chlorophenyl)-N-[(2-chlorophenyl)methyl]-N-methylmethanamine
CID 71304139
1-(2-ethoxyphenyl)-N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]methanamine
CID 120898323
4-[[(2-chlorophenyl)methyl-methylamino]methyl]oxan-4-ol
CID 113269047
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-nitrophenyl)methanamine;hydrochloride
CID 120898493
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine
CID 120897781
N-methyl-N-[(3-methylpyrrolidin-3-yl)methyl]-1-(2-morpholin-4-ylphenyl)methanamine;hydrochloride
CID 120897780
N-methyl-N-[(4-methylpiperidin-4-yl)methyl]-2-thiophen-2-ylethanamine
CID 79488257
1-(2-chlorophenyl)-N-methyl-N-[[3-(methylaminomethyl)oxolan-3-yl]methyl]methanamine
CID 62272813
N-[(2-bromophenyl)methyl]-1-(2-chlorophenyl)-N-methylmethanamine
CID 60646435
N-[(2-chlorophenyl)methyl]-N'-ethyl-N,2-dimethyl-2-propylpropane-1,3-diamine
CID 63493774

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine?
The IUPAC name of 1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine (CID 63122734) is 1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine.
What is the SMILES notation for 1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine?
The canonical SMILES for 1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine is CN(Cc1ccccc1Cl)CC1(C)CCNCC1.
What is the InChIKey of 1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine?
The InChIKey is QCRCMODHKWHJBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-15(7-9-17-10-8-15)12-18(2)11-13-5-3-4-6-14(13)16/h3-6,17H,7-12H2,1-2H3.
What are the key properties of 1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine?
1-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-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-(2-chlorophenyl)-N-methyl-N-[(4-methylpiperidin-4-yl)methyl]methanamine is sourced from PubChem (CID 63122734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).