1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride

C14H21Cl3N2 — CID 119920676

IUPAC1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(Cc2cc(Cl)ccc2Cl)CC1.Cl
InChIInChI=1S/C14H20Cl2N2.ClH/c1-10(17)11-4-6-18(7-5-11)9-12-8-13(15)2-3-14(12)16;/h2-3,8,10-11H,4-7,9,17H2,1H3;1H
InChIKeyAOXHDMXAGYSZKJ-UHFFFAOYSA-N
MW323.69 g/mol
LogP3.97
Rot. Bonds3

About 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride

1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride (PubChem CID 119920676) has the molecular formula C14H21Cl3N2 and a molecular weight of 323.69 g/mol. Its IUPAC name is 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
PubChem CID119920676
Molecular FormulaC14H21Cl3N2
Molecular Weight323.69 g/mol
Exact Mass322.08
IUPAC Name1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCN(Cc2cc(Cl)ccc2Cl)CC1.Cl
InChIInChI=1S/C14H20Cl2N2.ClH/c1-10(17)11-4-6-18(7-5-11)9-12-8-13(15)2-3-14(12)16;/h2-3,8,10-11H,4-7,9,17H2,1H3;1H
InChIKeyAOXHDMXAGYSZKJ-UHFFFAOYSA-N
XLogP3.97
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(5-bromo-2-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 103815438
1-[1-[(4-chloro-2-fluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 114851225
1-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]ethanamine
CID 63596526
1-[(2,5-dichlorophenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120774160
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine;hydrochloride
CID 120838225
1-[1-[2-(2,5-dichlorophenyl)sulfanylethyl]pyrrolidin-3-yl]ethanamine
CID 112630214
1-[(2,5-dichlorophenyl)methyl]piperidine-4-carbaldehyde
CID 65318635
N-[[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]methyl]propan-1-amine
CID 65318072
1-[1-[(2-chloro-5-fluorophenyl)methyl]piperidin-3-yl]ethanamine;hydrochloride
CID 120966307
1-[1-[(4,5-dichlorothiophen-3-yl)methyl]piperidin-4-yl]ethanamine
CID 120838226
1-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]ethanamine
CID 55216872
1-[(2,5-dichlorophenyl)methyl]-3-ethylpiperidin-4-ol
CID 114511185

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride (CID 119920676) is 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride is CC(N)C1CCN(Cc2cc(Cl)ccc2Cl)CC1.Cl.
What is the InChIKey of 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
The InChIKey is AOXHDMXAGYSZKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2.ClH/c1-10(17)11-4-6-18(7-5-11)9-12-8-13(15)2-3-14(12)16;/h2-3,8,10-11H,4-7,9,17H2,1H3;1H.
What are the key properties of 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride?
1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride has a molecular weight of 323.69 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(2,5-dichlorophenyl)methyl]piperidin-4-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119920676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).