1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine

C12H18ClN3 — CID 174586694

IUPAC1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine
SMILESCC(N)N1CCC(c2cccnc2Cl)CC1
InChIInChI=1S/C12H18ClN3/c1-9(14)16-7-4-10(5-8-16)11-3-2-6-15-12(11)13/h2-3,6,9-10H,4-5,7-8,14H2,1H3
InChIKeyHJHFHPGEBZUIJQ-UHFFFAOYSA-N
MW239.75 g/mol
LogP2.22
Rot. Bonds2

About 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine

1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine (PubChem CID 174586694) has the molecular formula C12H18ClN3 and a molecular weight of 239.75 g/mol. Its IUPAC name is 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine.

Molecular Properties

Compound Name1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine
PubChem CID174586694
Molecular FormulaC12H18ClN3
Molecular Weight239.75 g/mol
Exact Mass239.12
IUPAC Name1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine
SMILESCC(N)N1CCC(c2cccnc2Cl)CC1
InChIInChI=1S/C12H18ClN3/c1-9(14)16-7-4-10(5-8-16)11-3-2-6-15-12(11)13/h2-3,6,9-10H,4-5,7-8,14H2,1H3
InChIKeyHJHFHPGEBZUIJQ-UHFFFAOYSA-N
XLogP2.22
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 ≤ 52.22
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

(+-)-Chlorpheniramine
CID 2725
Dexchlorpheniramine
CID 33036
Acetamiprid metabolite (IM-1-5)
CID 19967186
6-Chloro-N-methyl-3-pyridinemethanamine
CID 11094883
(-)-Chlorpheniramine
CID 716121
Homoepibatidine
CID 44327552
5-(Aminomethyl)-2-chloropyridine
CID 7020927
3-(Pyridin-3-yl)propan-1-amine
CID 13557523
(2-Chloropyridin-4-yl)methanamine
CID 2794167
Hexahydropyrimidine2nitromethylene16chloro3pyrid
CID 21290600
2-(6-Chloropyridin-3-yl)-6-aza-bicyclo[2.2.1]heptane
CID 44395275
7-Pyridin-3-yl-3-azabicyclo[3.3.1]non-6-ene
CID 57485530

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine?
The IUPAC name of 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine (CID 174586694) is 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine.
What is the SMILES notation for 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine?
The canonical SMILES for 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine is CC(N)N1CCC(c2cccnc2Cl)CC1.
What is the InChIKey of 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine?
The InChIKey is HJHFHPGEBZUIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3/c1-9(14)16-7-4-10(5-8-16)11-3-2-6-15-12(11)13/h2-3,6,9-10H,4-5,7-8,14H2,1H3.
What are the key properties of 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine?
1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine has a molecular weight of 239.75 g/mol, XLogP of 2.22, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chloro-3-pyridinyl)piperidin-1-yl]ethanamine is sourced from PubChem (CID 174586694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).