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

C12H18ClN3 — CID 79708209

IUPAC2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCC1CCNCC1
InChIInChI=1S/C12H18ClN3/c1-9-2-7-15-12(13)11(9)16-8-10-3-5-14-6-4-10/h2,7,10,14,16H,3-6,8H2,1H3
InChIKeyHCHBISFGSRZTIE-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.45
Rot. Bonds3

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

2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine (PubChem CID 79708209) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine
PubChem CID79708209
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine
SMILESCc1ccnc(Cl)c1NCC1CCNCC1
InChIInChI=1S/C12H18ClN3/c1-9-2-7-15-12(13)11(9)16-8-10-3-5-14-6-4-10/h2,7,10,14,16H,3-6,8H2,1H3
InChIKeyHCHBISFGSRZTIE-UHFFFAOYSA-N
XLogP2.45
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-methyl-N-(pyrrolidin-2-ylmethyl)pyridin-3-amine
CID 106638659
2-chloro-4-methyl-N-[(5-methyloxolan-2-yl)methyl]pyridin-3-amine
CID 82836185
3,5-dimethyl-N-(piperidin-4-ylmethyl)pyridin-4-amine
CID 83837408
4-chloro-2-methyl-N-(piperidin-4-ylmethyl)aniline
CID 79018794
3-bromo-4-methyl-N-(pyrrolidin-3-ylmethyl)pyridin-2-amine
CID 106876197
2-chloro-N-cyclododecyl-4-methylpyridin-3-amine
CID 65485507
4-chloro-N-[[(3S)-pyrrolidin-3-yl]methyl]pyrimidin-2-amine
CID 97163818
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-(2-chloro-4-methyl-3-pyridinyl)acetamide
CID 79614972
2-chloro-N-(2-ethylbutyl)-4-methylpyridin-3-amine
CID 65483551
N-(piperidin-4-ylmethyl)-4-propan-2-ylpyridin-2-amine
CID 126724513
2-chloro-N-(3-ethylcyclopentyl)-4-methylpyridin-3-amine
CID 65483934
N-(2-chloro-4-methyl-3-pyridinyl)-2-piperazin-1-ylacetamide
CID 65489482

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine?
The IUPAC name of 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine (CID 79708209) is 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine?
The canonical SMILES for 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine is Cc1ccnc(Cl)c1NCC1CCNCC1.
What is the InChIKey of 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine?
The InChIKey is HCHBISFGSRZTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9-2-7-15-12(13)11(9)16-8-10-3-5-14-6-4-10/h2,7,10,14,16H,3-6,8H2,1H3.
What are the key properties of 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine?
2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine has a molecular weight of 239.75 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-methyl-N-(piperidin-4-ylmethyl)pyridin-3-amine is sourced from PubChem (CID 79708209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).