3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine

C13H19ClN2 — CID 118991788

IUPAC3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(N)C(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-16-6-5-13(15)11(9-16)7-10-3-2-4-12(14)8-10/h2-4,8,11,13H,5-7,9,15H2,1H3
InChIKeyBKXPARMUWPCNJD-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.16
Rot. Bonds2

About 3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine

3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine (PubChem CID 118991788) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine.

Molecular Properties

Compound Name3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine
PubChem CID118991788
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine
SMILESCN1CCC(N)C(Cc2cccc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c1-16-6-5-13(15)11(9-16)7-10-3-2-4-12(14)8-10/h2-4,8,11,13H,5-7,9,15H2,1H3
InChIKeyBKXPARMUWPCNJD-UHFFFAOYSA-N
XLogP2.16
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3-chlorophenyl)methyl]-1-methylazetidine
CID 155020955
1-methyl-3-[(4-methylphenyl)methyl]piperidin-4-amine
CID 82393171
2-[(3-chlorophenyl)methyl]-4-propylcyclohexan-1-amine
CID 63403544
3-[(3-chlorophenyl)methyl]cyclobutan-1-amine
CID 142422934
3-[(3-chlorophenyl)methyl]-1-ethylpiperidin-4-ol
CID 110540158
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
1-methyl-3-[[3-(trifluoromethyl)phenyl]methyl]piperidin-4-ol
CID 110539722
1-(3-aminopyrrolidin-1-yl)-2-(3-chlorophenyl)ethanone
CID 62504630
N-[(3-chlorophenyl)methyl]-1-methylpiperidin-3-amine
CID 61210462
3-benzyl-1,4-dimethylpiperidine
CID 68972702
2-(3-chlorophenyl)-1-[(3S)-3-(1-methylpiperidin-4-yl)pyrrolidin-1-yl]ethanone
CID 97061949
1-chloro-3-[(2-chloro-5-ethylcyclohexyl)methyl]benzene
CID 63461867

Frequently Asked Questions

What is the IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine?
The IUPAC name of 3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine (CID 118991788) is 3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine.
What is the SMILES notation for 3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine?
The canonical SMILES for 3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine is CN1CCC(N)C(Cc2cccc(Cl)c2)C1.
What is the InChIKey of 3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine?
The InChIKey is BKXPARMUWPCNJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-16-6-5-13(15)11(9-16)7-10-3-2-4-12(14)8-10/h2-4,8,11,13H,5-7,9,15H2,1H3.
What are the key properties of 3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine?
3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine has a molecular weight of 238.76 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-chlorophenyl)methyl]-1-methylpiperidin-4-amine is sourced from PubChem (CID 118991788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).