6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine

C12H18ClN3 — CID 63586179

IUPAC6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
SMILESCN1CCCCC1CNc1cccc(Cl)n1
InChIInChI=1S/C12H18ClN3/c1-16-8-3-2-5-10(16)9-14-12-7-4-6-11(13)15-12/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,14,15)
InChIKeyUQXMWUVKINWOTR-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.63
Rot. Bonds3

About 6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine

6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine (PubChem CID 63586179) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
PubChem CID63586179
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
SMILESCN1CCCCC1CNc1cccc(Cl)n1
InChIInChI=1S/C12H18ClN3/c1-16-8-3-2-5-10(16)9-14-12-7-4-6-11(13)15-12/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,14,15)
InChIKeyUQXMWUVKINWOTR-UHFFFAOYSA-N
XLogP2.63
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 ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-[(1-methylpyrrolidin-2-yl)methyl]pyridine-2,4-diamine
CID 106022889
6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-2-carbothioamide
CID 106023912
6-chloro-N-[(1-methylazetidin-3-yl)methyl]pyridin-2-amine
CID 130783828
5-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]pyrazin-2-amine
CID 131214051
2-chloro-6-[(1-methylpyrrolidin-2-yl)methylamino]pyridine-4-carboxylic acid
CID 114137693
2,6-difluoro-N-[(1-methylpiperidin-2-yl)methyl]aniline
CID 62655066
2-chloro-4-[(1-methylpiperidin-2-yl)methylamino]phenol
CID 107678243
3,5-dichloro-6-hydrazinyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 102761888
4-tert-butyl-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine;molecular hydrogen
CID 144655907
6-chloro-N-[(1-methylpyrrolidin-2-yl)methyl]-4-nitropyridin-2-amine
CID 106028372
N-[2-(azepan-1-yl)ethyl]-6-chloropyridin-2-amine
CID 107257793
3,4-dichloro-N-[(1-methylpyrrolidin-2-yl)methyl]aniline
CID 83962864

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine (CID 63586179) is 6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine is CN1CCCCC1CNc1cccc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine?
The InChIKey is UQXMWUVKINWOTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-16-8-3-2-5-10(16)9-14-12-7-4-6-11(13)15-12/h4,6-7,10H,2-3,5,8-9H2,1H3,(H,14,15).
What are the key properties of 6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine?
6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine has a molecular weight of 239.75 g/mol, XLogP of 2.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(1-methylpiperidin-2-yl)methyl]pyridin-2-amine is sourced from PubChem (CID 63586179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).