2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine

C13H19ClN2 — CID 83824657

IUPAC2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c14-12-4-1-5-13(9-12)16-8-2-3-11(10-16)6-7-15/h1,4-5,9,11H,2-3,6-8,10,15H2
InChIKeyWIWQZFFRCGTKGI-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.91
Rot. Bonds3

About 2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine

2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine (PubChem CID 83824657) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine
PubChem CID83824657
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2cccc(Cl)c2)C1
InChIInChI=1S/C13H19ClN2/c14-12-4-1-5-13(9-12)16-8-2-3-11(10-16)6-7-15/h1,4-5,9,11H,2-3,6-8,10,15H2
InChIKeyWIWQZFFRCGTKGI-UHFFFAOYSA-N
XLogP2.91
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.76
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824658
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanamine
CID 83822888
2-[3-(2-aminoethyl)piperidin-1-yl]-N-(3-chlorophenyl)acetamide;hydrochloride
CID 120728109
1-(3-chlorophenyl)azonane
CID 145391535
5-[3-(2-aminoethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 115500524
2-[1-(3-methylphenyl)piperidin-3-yl]ethanol
CID 117025976
[4-[4-(3-chlorophenyl)piperazin-1-yl]phenyl]methanamine
CID 28801360
2-[1-(2,5-dichlorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120727112
2-[1-(5-chloro-2-fluorophenyl)sulfonylpiperidin-3-yl]ethanamine;hydrochloride
CID 120894317
2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
1-(3-chlorophenyl)-4-ethylpiperidine
CID 178142093

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine (CID 83824657) is 2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine is NCCC1CCCN(c2cccc(Cl)c2)C1.
What is the InChIKey of 2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine?
The InChIKey is WIWQZFFRCGTKGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-12-4-1-5-13(9-12)16-8-2-3-11(10-16)6-7-15/h1,4-5,9,11H,2-3,6-8,10,15H2.
What are the key properties of 2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine?
2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine has a molecular weight of 238.76 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 83824657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).