N-(3-chlorophenyl)-1-methylpiperidin-4-amine

C12H17ClN2 — CID 13336311

IUPACN-(3-chlorophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2/c1-15-7-5-11(6-8-15)14-12-4-2-3-10(13)9-12/h2-4,9,11,14H,5-8H2,1H3
InChIKeyIBSAYCNVYJWYGT-UHFFFAOYSA-N
MW224.73 g/mol
LogP2.85
Rot. Bonds2

About N-(3-chlorophenyl)-1-methylpiperidin-4-amine

N-(3-chlorophenyl)-1-methylpiperidin-4-amine (PubChem CID 13336311) has the molecular formula C12H17ClN2 and a molecular weight of 224.73 g/mol. Its IUPAC name is N-(3-chlorophenyl)-1-methylpiperidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-1-methylpiperidin-4-amine
PubChem CID13336311
Molecular FormulaC12H17ClN2
Molecular Weight224.73 g/mol
Exact Mass224.11
IUPAC NameN-(3-chlorophenyl)-1-methylpiperidin-4-amine
SMILESCN1CCC(Nc2cccc(Cl)c2)CC1
InChIInChI=1S/C12H17ClN2/c1-15-7-5-11(6-8-15)14-12-4-2-3-10(13)9-12/h2-4,9,11,14H,5-8H2,1H3
InChIKeyIBSAYCNVYJWYGT-UHFFFAOYSA-N
XLogP2.85
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.73
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[3-[(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 43715020
2,6-dichloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;hydrochloride
CID 11338980
1-[4-(3-chloroanilino)piperidin-1-yl]-3-methylbutan-1-one
CID 5030515
2-chloro-N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]benzamide;dihydrochloride
CID 66938863
N-(3-chlorophenyl)-1,5-dimethylpyrrolidin-3-amine
CID 81466507
1-methyl-N-(3-pyrrolidin-1-ylphenyl)azepan-4-amine
CID 65070389
cyclopropane;N-[3-[(1-methylpiperidin-4-yl)amino]phenyl]formamide;hydrochloride
CID 87211381
N-[3-[(5-chloro-1H-indol-2-yl)sulfonyl]phenyl]-1-methylpiperidin-4-amine
CID 69120329
[4-(3-chloroanilino)piperidin-1-yl]-pyridin-4-ylmethanone
CID 4613355
N-(3-ethynylphenyl)-1-methylazepan-4-amine
CID 65071478
N-(3-chlorophenyl)azepan-4-amine
CID 105482710
1-methyl-N-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-amine
CID 43745344

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-1-methylpiperidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-1-methylpiperidin-4-amine (CID 13336311) is N-(3-chlorophenyl)-1-methylpiperidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-1-methylpiperidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-1-methylpiperidin-4-amine is CN1CCC(Nc2cccc(Cl)c2)CC1.
What is the InChIKey of N-(3-chlorophenyl)-1-methylpiperidin-4-amine?
The InChIKey is IBSAYCNVYJWYGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2/c1-15-7-5-11(6-8-15)14-12-4-2-3-10(13)9-12/h2-4,9,11,14H,5-8H2,1H3.
What are the key properties of N-(3-chlorophenyl)-1-methylpiperidin-4-amine?
N-(3-chlorophenyl)-1-methylpiperidin-4-amine has a molecular weight of 224.73 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-1-methylpiperidin-4-amine is sourced from PubChem (CID 13336311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).