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

C13H19ClN2 — CID 83824658

IUPAC2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2/c14-12-3-5-13(6-4-12)16-9-1-2-11(10-16)7-8-15/h3-6,11H,1-2,7-10,15H2
InChIKeyQFYSVFVNNLMVGS-UHFFFAOYSA-N
MW238.76 g/mol
LogP2.91
Rot. Bonds3

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

2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine (PubChem CID 83824658) has the molecular formula C13H19ClN2 and a molecular weight of 238.76 g/mol. Its IUPAC name is 2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine.

Molecular Properties

Compound Name2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
PubChem CID83824658
Molecular FormulaC13H19ClN2
Molecular Weight238.76 g/mol
Exact Mass238.12
IUPAC Name2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine
SMILESNCCC1CCCN(c2ccc(Cl)cc2)C1
InChIInChI=1S/C13H19ClN2/c14-12-3-5-13(6-4-12)16-9-1-2-11(10-16)7-8-15/h3-6,11H,1-2,7-10,15H2
InChIKeyQFYSVFVNNLMVGS-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-fluorophenyl)piperidin-3-yl]ethanamine
CID 83822888
2-[1-(3-chlorophenyl)piperidin-3-yl]ethanamine
CID 83824657
2-[1-(4-chlorophenyl)pyrrolidin-3-yl]ethanol
CID 83981447
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
2-[1-[4-(aminomethyl)phenyl]piperidin-3-yl]ethanol
CID 107227081
1-(4-chlorophenyl)piperidine-3-carbonitrile
CID 117008082
2-(1-pyridin-4-ylpyrrolidin-3-yl)ethanamine
CID 83618668
2-(4-chlorophenyl)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939590
2-[1-(4-fluorophenyl)piperidin-3-yl]ethanol
CID 117025995
3-[1-(4-chlorophenyl)pyrrolidin-3-yl]-2-methylpropan-1-amine
CID 83981422
5-[3-(2-aminoethyl)piperidin-1-yl]-2-nitrobenzonitrile
CID 115500524
4-[[1-(4-chlorophenyl)piperidin-3-yl]methoxy]benzoic acid
CID 11725139

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine?
The IUPAC name of 2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine (CID 83824658) is 2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine.
What is the SMILES notation for 2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine?
The canonical SMILES for 2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine is NCCC1CCCN(c2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine?
The InChIKey is QFYSVFVNNLMVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2/c14-12-3-5-13(6-4-12)16-9-1-2-11(10-16)7-8-15/h3-6,11H,1-2,7-10,15H2.
What are the key properties of 2-[1-(4-chlorophenyl)piperidin-3-yl]ethanamine?
2-[1-(4-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-(4-chlorophenyl)piperidin-3-yl]ethanamine is sourced from PubChem (CID 83824658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).