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

C14H22Cl2N2 — CID 120728185

IUPAC2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2.ClH/c15-14-5-3-13(4-6-14)11-17-9-1-2-12(10-17)7-8-16;/h3-6,12H,1-2,7-11,16H2;1H
InChIKeyCPFRDSMTOKHBGI-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.32
Rot. Bonds4

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

2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728185) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728185
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2ccc(Cl)cc2)C1
InChIInChI=1S/C14H21ClN2.ClH/c15-14-5-3-13(4-6-14)11-17-9-1-2-12(10-17)7-8-16;/h3-6,12H,1-2,7-11,16H2;1H
InChIKeyCPFRDSMTOKHBGI-UHFFFAOYSA-N
XLogP3.32
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.25
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-[(4-chlorophenyl)methyl]piperidin-3-yl]methanamine
CID 18426222
2-[1-[(3,4-difluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728410
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
2-[1-[(3-chloro-4-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728671
2-[1-(naphthalen-2-ylmethyl)piperidin-3-yl]ethanamine;hydrochloride
CID 120728409
2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728383
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637
2-[1-[(4-imidazol-1-ylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728732
2-[3-(2-aminoethyl)piperidin-1-yl]-N-[(4-chlorophenyl)methyl]acetamide;hydrochloride
CID 120728492
2-[1-[(3-chlorothiophen-2-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846233
3-(2-chloroethyl)-1-[(4-chlorophenyl)methyl]pyrrolidine
CID 114800668

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728185) is 2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is Cl.NCCC1CCCN(Cc2ccc(Cl)cc2)C1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is CPFRDSMTOKHBGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2.ClH/c15-14-5-3-13(4-6-14)11-17-9-1-2-12(10-17)7-8-16;/h3-6,12H,1-2,7-11,16H2;1H.
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 289.25 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).