N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine

C13H19ClN2 — CID 110454576

IUPACN-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)c2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2/c1-15-9-7-11(8-10-15)16(2)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
InChIKeyPNTJGVOGCCZCAK-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.87
Rot. Bonds2

About N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine

N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine (PubChem CID 110454576) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine.

Molecular Properties

Compound NameN-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine
PubChem CID110454576
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC NameN-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine
SMILESCN1CCC(N(C)c2ccccc2Cl)CC1
InChIInChI=1S/C13H19ClN2/c1-15-9-7-11(8-10-15)16(2)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3
InChIKeyPNTJGVOGCCZCAK-UHFFFAOYSA-N
XLogP2.87
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(2-aminoethyl)phenyl]-N,1-dimethylpiperidin-4-amine
CID 63782695
2-chloro-N'-hydroxy-6-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 76945394
N-(2-chlorophenyl)-N-methylazetidin-3-amine
CID 105450392
3-chloro-4-[methyl-(1-methylpiperidin-4-yl)amino]benzenecarboximidamide
CID 63087384
2,3-dichloro-N-cyclopentyl-N-methylaniline
CID 66960790
N'-[[2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methyl]-N'-(2-phenylethyl)ethane-1,2-diamine;hydrochloride
CID 120912557
4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzoic acid
CID 55181948
[5-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]phenyl]methanol
CID 114845156
4-chloro-2-[methyl-(1-methylpiperidin-4-yl)amino]benzonitrile
CID 63094075
3-chloro-N-cyclopropyl-N-methyl-2-nitroaniline
CID 104838791
N-[2-(2-chlorophenoxy)ethyl]-N,1-dimethylpiperidin-4-amine;ethane
CID 144963079
2-chloro-6-[cyclopentyl(methyl)amino]benzoic acid
CID 43267297

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine?
The IUPAC name of N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine (CID 110454576) is N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine.
What is the SMILES notation for N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine?
The canonical SMILES for N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine is CN1CCC(N(C)c2ccccc2Cl)CC1.
What is the InChIKey of N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine?
The InChIKey is PNTJGVOGCCZCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c1-15-9-7-11(8-10-15)16(2)13-6-4-3-5-12(13)14/h3-6,11H,7-10H2,1-2H3.
What are the key properties of N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine?
N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine has a molecular weight of 238.76 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-N,1-dimethylpiperidin-4-amine is sourced from PubChem (CID 110454576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).