1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine

C12H18ClN3 — CID 81460923

IUPAC1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine
SMILESCCC1CN(c2ccncc2Cl)CCC1N
InChIInChI=1S/C12H18ClN3/c1-2-9-8-16(6-4-11(9)14)12-3-5-15-7-10(12)13/h3,5,7,9,11H,2,4,6,8,14H2,1H3
InChIKeyZXAYPIRHSRDFIW-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.30
Rot. Bonds2

About 1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine

1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine (PubChem CID 81460923) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine
PubChem CID81460923
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine
SMILESCCC1CN(c2ccncc2Cl)CCC1N
InChIInChI=1S/C12H18ClN3/c1-2-9-8-16(6-4-11(9)14)12-3-5-15-7-10(12)13/h3,5,7,9,11H,2,4,6,8,14H2,1H3
InChIKeyZXAYPIRHSRDFIW-UHFFFAOYSA-N
XLogP2.30
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.75
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-4-[4-(1-chloroethyl)piperidin-1-yl]pyridine
CID 106838460
2-(4-amino-3-ethylpiperidin-1-yl)-6-chlorobenzonitrile
CID 81459606
3-chloro-4-(3-methylazetidin-1-yl)pyridine
CID 142532055
5-(4-amino-3-ethylpiperidin-1-yl)-4-chloro-2-ethylpyridazin-3-one
CID 114446594
3-chloro-4-[4-(methoxymethyl)piperidin-1-yl]pyridine
CID 71977831
4-chloro-3-(4-ethylpiperidin-1-yl)pyridine
CID 176552939
5-(4-amino-3-ethylpiperidin-1-yl)-2-butyl-4-chloropyridazin-3-one
CID 114446592
4-[3-(bromomethyl)piperidin-1-yl]-3-chloropyridine
CID 80674261
methyl 1-(3-chloro-4-pyridinyl)piperidine-3-carboxylate
CID 115538455
(3S)-1-(3-bromo-4-pyridinyl)pyrrolidin-3-amine
CID 124595065
1-(3-chloro-4-pyridinyl)-N-ethylpiperidine-3-carboxamide
CID 71977836
3-chloro-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946420

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine (CID 81460923) is 1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine is CCC1CN(c2ccncc2Cl)CCC1N.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine?
The InChIKey is ZXAYPIRHSRDFIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-2-9-8-16(6-4-11(9)14)12-3-5-15-7-10(12)13/h3,5,7,9,11H,2,4,6,8,14H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine?
1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine has a molecular weight of 239.75 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-ethylpiperidin-4-amine is sourced from PubChem (CID 81460923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).