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

C12H18ClN3 — CID 79719724

IUPAC5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCNCC1)c1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3/c1-16(9-10-4-6-14-7-5-10)12-3-2-11(13)8-15-12/h2-3,8,10,14H,4-7,9H2,1H3
InChIKeyOXHRNNACXPKRAU-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.17
Rot. Bonds3

About 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine

5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine (PubChem CID 79719724) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
PubChem CID79719724
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
SMILESCN(CC1CCNCC1)c1ccc(Cl)cn1
InChIInChI=1S/C12H18ClN3/c1-16(9-10-4-6-14-7-5-10)12-3-2-11(13)8-15-12/h2-3,8,10,14H,4-7,9H2,1H3
InChIKeyOXHRNNACXPKRAU-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

6-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
CID 71642379
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine
CID 71642441
N-methyl-N-(piperidin-4-ylmethyl)quinoxalin-2-amine;hydrochloride
CID 71642440
5-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]pyridin-2-amine
CID 79312980
3-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 79719150
6-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]pyridazin-3-amine
CID 97164559
7-chloro-N-methyl-N-(piperidin-4-ylmethyl)quinolin-4-amine
CID 79719664
5-chloro-N-(piperidin-4-ylmethyl)-N-propan-2-ylpyridine-2-carboxamide
CID 79720431
5-chloro-2-(piperidin-4-ylmethoxy)pyridine
CID 62348953
N-methyl-2-methylsulfanyl-N-(piperidin-4-ylmethyl)pyrimidin-4-amine;hydrochloride
CID 71643294
5-chloro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 63304263
5-ethyl-N-methyl-N-(piperidin-4-ylmethyl)pyrimidin-2-amine;dihydrochloride
CID 139028403

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine (CID 79719724) is 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine is CN(CC1CCNCC1)c1ccc(Cl)cn1.
What is the InChIKey of 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
The InChIKey is OXHRNNACXPKRAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-16(9-10-4-6-14-7-5-10)12-3-2-11(13)8-15-12/h2-3,8,10,14H,4-7,9H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine?
5-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 5-chloro-N-methyl-N-(piperidin-4-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 79719724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).