N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine

C18H22ClN3 — CID 155976215

IUPACN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine
SMILESCN(c1ccccn1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H22ClN3/c1-21(18-7-2-3-10-20-18)17-8-11-22(12-9-17)14-15-5-4-6-16(19)13-15/h2-7,10,13,17H,8-9,11-12,14H2,1H3
InChIKeyJVDDYQPMJBNSQV-UHFFFAOYSA-N
MW315.85 g/mol
LogP3.84
Rot. Bonds4

About N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine

N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine (PubChem CID 155976215) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine.

Molecular Properties

Compound NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine
PubChem CID155976215
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC NameN-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine
SMILESCN(c1ccccn1)C1CCN(Cc2cccc(Cl)c2)CC1
InChIInChI=1S/C18H22ClN3/c1-21(18-7-2-3-10-20-18)17-8-11-22(12-9-17)14-15-5-4-6-16(19)13-15/h2-7,10,13,17H,8-9,11-12,14H2,1H3
InChIKeyJVDDYQPMJBNSQV-UHFFFAOYSA-N
XLogP3.84
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171995913
N-methyl-N-[1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 155975649
4-(1-chloroethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 106838072
N-methyl-N-[1-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]piperidin-4-yl]pyridin-2-amine
CID 155975492
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 172902048
N-cyclopropyl-N-methylpyridin-2-amine;hydrochloride
CID 69197423
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
4-(chloromethyl)-1-[(3-chlorophenyl)methyl]piperidine
CID 63387553
3-fluoro-4-[[4-[methyl(pyridin-2-yl)amino]piperidin-1-yl]methyl]benzonitrile
CID 155976045
1-[(3-chlorophenyl)methyl]pyrrolidine;ethane;methanol
CID 145435843
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134

Frequently Asked Questions

What is the IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine?
The IUPAC name of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine (CID 155976215) is N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine.
What is the SMILES notation for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine?
The canonical SMILES for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine is CN(c1ccccn1)C1CCN(Cc2cccc(Cl)c2)CC1.
What is the InChIKey of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine?
The InChIKey is JVDDYQPMJBNSQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3/c1-21(18-7-2-3-10-20-18)17-8-11-22(12-9-17)14-15-5-4-6-16(19)13-15/h2-7,10,13,17H,8-9,11-12,14H2,1H3.
What are the key properties of N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine?
N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine has a molecular weight of 315.85 g/mol, XLogP of 3.84, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(3-chlorophenyl)methyl]piperidin-4-yl]-N-methylpyridin-2-amine is sourced from PubChem (CID 155976215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).