3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine

C12H18ClN3 — CID 79719150

IUPAC3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCNCC1)c1ncccc1Cl
InChIInChI=1S/C12H18ClN3/c1-16(9-10-4-7-14-8-5-10)12-11(13)3-2-6-15-12/h2-3,6,10,14H,4-5,7-9H2,1H3
InChIKeySMELNKZHXRFEJI-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.17
Rot. Bonds3

About 3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine

3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine (PubChem CID 79719150) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
PubChem CID79719150
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCNCC1)c1ncccc1Cl
InChIInChI=1S/C12H18ClN3/c1-16(9-10-4-7-14-8-5-10)12-11(13)3-2-6-15-12/h2-3,6,10,14H,4-5,7-9H2,1H3
InChIKeySMELNKZHXRFEJI-UHFFFAOYSA-N
XLogP2.17
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 106618690
N-methyl-3-nitro-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71642416
3-chloro-2-(piperidin-4-ylmethyl)pyridine
CID 115008688
5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719724
2-chloro-6-[methyl(piperidin-4-ylmethyl)amino]benzonitrile
CID 79720085
3-chloro-2-(piperidin-4-ylmethoxy)pyridine;hydrochloride
CID 162422899
N-methyl-N-[(3-methyl-2-pyridinyl)methyl]-1-piperidin-4-ylmethanamine
CID 112651005
2-[ethyl(piperidin-4-ylmethyl)amino]pyridine-3-carbonitrile
CID 79719604
6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
CID 71642379
N,3-dimethyl-N-(pyrrolidin-3-ylmethyl)pyrazin-2-amine;hydrochloride
CID 71642284
7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 79719664
3-chloro-N-(piperidin-4-ylmethyl)pyridine-2-sulfonamide
CID 71639809

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine (CID 79719150) is 3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine is CN(CC1CCNCC1)c1ncccc1Cl.
What is the InChIKey of 3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The InChIKey is SMELNKZHXRFEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-16(9-10-4-7-14-8-5-10)12-11(13)3-2-6-15-12/h2-3,6,10,14H,4-5,7-9H2,1H3.
What are the key properties of 3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.17, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 79719150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).