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

C14H22Cl2N2 — CID 120728383

IUPAC2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C14H21ClN2.ClH/c15-14-6-2-1-5-13(14)11-17-9-3-4-12(10-17)7-8-16;/h1-2,5-6,12H,3-4,7-11,16H2;1H
InChIKeyDERVRBXEWACPSC-UHFFFAOYSA-N
MW289.25 g/mol
LogP3.32
Rot. Bonds4

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

2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 120728383) has the molecular formula C14H22Cl2N2 and a molecular weight of 289.25 g/mol. Its IUPAC name is 2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
PubChem CID120728383
Molecular FormulaC14H22Cl2N2
Molecular Weight289.25 g/mol
Exact Mass288.12
IUPAC Name2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
SMILESCl.NCCC1CCCN(Cc2ccccc2Cl)C1
InChIInChI=1S/C14H21ClN2.ClH/c15-14-6-2-1-5-13(14)11-17-9-3-4-12(10-17)7-8-16;/h1-2,5-6,12H,3-4,7-11,16H2;1H
InChIKeyDERVRBXEWACPSC-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

2-[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728466
2-[1-[(2-bromophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728391
2-[1-[(3-chloro-4-pyridinyl)methyl]piperidin-3-yl]ethanamine;dihydrochloride
CID 120728516
2-[1-[(2-chloro-3-fluorophenyl)methyl]piperidin-3-yl]ethanamine
CID 112652826
2-[1-[(2-methoxyphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728614
2-[1-[(4-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728185
2-[1-[(5-chloro-2-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728723
2-[1-[(4-chloro-2-methylphenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120728637
1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119917385
(3S)-1-[(2-chlorophenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933654
[1-[(2,5-dichlorophenyl)methyl]piperidin-3-yl]methanamine
CID 65318797
2-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120846304

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride (CID 120728383) is 2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is Cl.NCCC1CCCN(Cc2ccccc2Cl)C1.
What is the InChIKey of 2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is DERVRBXEWACPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2.ClH/c15-14-6-2-1-5-13(14)11-17-9-3-4-12(10-17)7-8-16;/h1-2,5-6,12H,3-4,7-11,16H2;1H.
What are the key properties of 2-[1-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride?
2-[1-[(2-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-[(2-chlorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 120728383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).