3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine

C12H18ClN3 — CID 79840711

IUPAC3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine
SMILESCN1CCCC(CNc2ccncc2Cl)C1
InChIInChI=1S/C12H18ClN3/c1-16-6-2-3-10(9-16)7-15-12-4-5-14-8-11(12)13/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,14,15)
InChIKeyZILNDPVWSBOIOJ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.49
Rot. Bonds3

About 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine

3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine (PubChem CID 79840711) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine
PubChem CID79840711
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine
SMILESCN1CCCC(CNc2ccncc2Cl)C1
InChIInChI=1S/C12H18ClN3/c1-16-6-2-3-10(9-16)7-15-12-4-5-14-8-11(12)13/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,14,15)
InChIKeyZILNDPVWSBOIOJ-UHFFFAOYSA-N
XLogP2.49
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 ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 79841586
3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 104776821
5-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 105369328
3-chloro-N-[(4-chlorocyclohexyl)methyl]pyridin-4-amine
CID 106125656
6-chloro-4-methyl-N-[(1-methylpiperidin-3-yl)methyl]pyridin-3-amine
CID 114256226
4-(methylamino)-N-[(1-methylpiperidin-3-yl)methyl]pyridine-3-carboxamide
CID 81243360
2,5-dichloro-N-[(1-methylpiperidin-3-yl)methyl]pyrimidin-4-amine
CID 79632916
3-chloro-N-(pyrrolidin-2-ylmethyl)pyridin-4-amine
CID 79841307
N-[[2-(aminomethyl)cyclohexyl]methyl]-3-chloropyridin-4-amine
CID 79840186
2-fluoro-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655960
3,5,6-trichloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-2-amine
CID 102750847
2,3-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]aniline
CID 62655606

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine (CID 79840711) is 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine is CN1CCCC(CNc2ccncc2Cl)C1.
What is the InChIKey of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine?
The InChIKey is ZILNDPVWSBOIOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-16-6-2-3-10(9-16)7-15-12-4-5-14-8-11(12)13/h4-5,8,10H,2-3,6-7,9H2,1H3,(H,14,15).
What are the key properties of 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine?
3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 2.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(1-methylpiperidin-3-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 79840711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).