1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine

C13H19ClN2 — CID 79992959

IUPAC1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2/c1-10-6-13(15)9-16(7-10)8-11-2-4-12(14)5-3-11/h2-5,10,13H,6-9,15H2,1H3
InChIKeyOYBCOBMBPGINOQ-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.51
Rot. Bonds2

About 1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine

1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine (PubChem CID 79992959) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine.

Molecular Properties

Compound Name1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
PubChem CID79992959
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
SMILESCC1CC(N)CN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2/c1-10-6-13(15)9-16(7-10)8-11-2-4-12(14)5-3-11/h2-5,10,13H,6-9,15H2,1H3
InChIKeyOYBCOBMBPGINOQ-UHFFFAOYSA-N
XLogP2.51
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 ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(3-bromo-4-chlorophenyl)methyl]-5-methylpiperidin-3-amine
CID 83230226
1-[(3-chloro-5-fluorophenyl)methyl]-5-methylpiperidin-3-amine
CID 114453810
2-(3-amino-5-methylpiperidin-1-yl)-N-(4-chlorophenyl)acetamide
CID 79993547
1-[[5-(4-chlorophenyl)-1,3-oxazol-2-yl]methyl]-5-methylpiperidin-3-amine
CID 79994471
4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 79015530
3-(chloromethyl)-1-[(4-chlorophenyl)methyl]azetidine
CID 130531127
5-[(3-amino-5-methylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 79986953
1,2-bis[(4-chlorophenyl)methyl]pyrazolidin-4-amine
CID 20519775
2-chloro-4-[(3,5-dimethylpiperidin-1-yl)methyl]phenol
CID 82974406
3-[(4-chlorophenyl)methyl]-6-oxa-3-azabicyclo[3.1.0]hexane
CID 87480861
1-[(2-fluoro-4-methoxyphenyl)methyl]-5-methylpiperidin-3-amine
CID 102877833
1-[(5-fluoro-2-methylphenyl)methyl]-5-methylpiperidin-3-amine
CID 105372590

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine?
The IUPAC name of 1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine (CID 79992959) is 1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine.
What is the SMILES notation for 1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine?
The canonical SMILES for 1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine is CC1CC(N)CN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine?
The InChIKey is OYBCOBMBPGINOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-10-6-13(15)9-16(7-10)8-11-2-4-12(14)5-3-11/h2-5,10,13H,6-9,15H2,1H3.
What are the key properties of 1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine?
1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine has a molecular weight of 238.76 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chlorophenyl)methyl]-5-methylpiperidin-3-amine is sourced from PubChem (CID 79992959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).