N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine

C13H19ClN2 — CID 61210462

IUPACN-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NCc2cccc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-16-7-3-6-13(10-16)15-9-11-4-2-5-12(14)8-11/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3
InChIKeyDTDVFQRNVNRUMA-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.52
Rot. Bonds3

About N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine

N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine (PubChem CID 61210462) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
PubChem CID61210462
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
SMILESCN1CCCC(NCc2cccc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-16-7-3-6-13(10-16)15-9-11-4-2-5-12(14)8-11/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3
InChIKeyDTDVFQRNVNRUMA-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-chlorophenyl)methyl]-1-methylazepan-4-amine
CID 65070501
1-methyl-N-(naphthalen-2-ylmethyl)piperidin-3-amine
CID 61211389
N-[(3,4-dimethylphenyl)methyl]-1-methylpiperidin-3-amine
CID 61211231
N-[(3-chloro-2-fluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 115695883
N-[(3-chlorophenyl)methyl]-1-pyridazin-3-ylpiperidin-3-amine
CID 119123985
1-tert-butyl-N-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 54866694
N-[(2,3-difluorophenyl)methyl]-1-methylpiperidin-3-amine
CID 63667562
1-methyl-N-[(1-methylpyrrol-3-yl)methyl]piperidin-3-amine
CID 66400036
1-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-amine
CID 61462002
4-tert-butyl-N-[(3-chlorophenyl)methyl]cycloheptan-1-amine
CID 65089981
1-[(3-chlorophenyl)methyl]-N-(cyclopropylmethyl)piperidin-3-amine
CID 83996341
N-[(3-chlorophenyl)methyl]-1-(2-phenylethyl)piperidin-4-amine
CID 5112934

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine (CID 61210462) is N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine is CN1CCCC(NCc2cccc(Cl)c2)C1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine?
The InChIKey is DTDVFQRNVNRUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16-7-3-6-13(10-16)15-9-11-4-2-5-12(14)8-11/h2,4-5,8,13,15H,3,6-7,9-10H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine?
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine has a molecular weight of 238.76 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine is sourced from PubChem (CID 61210462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).