1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride

C15H24Cl2N2O — CID 119911014

IUPAC1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1CCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-12(17)15-4-2-3-9-18(15)10-11-19-14-7-5-13(16)6-8-14;/h5-8,12,15H,2-4,9-11,17H2,1H3;1H
InChIKeyHHCVCKCBRRBIQV-UHFFFAOYSA-N
MW319.28 g/mol
LogP3.34
Rot. Bonds5

About 1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride

1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride (PubChem CID 119911014) has the molecular formula C15H24Cl2N2O and a molecular weight of 319.28 g/mol. Its IUPAC name is 1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
PubChem CID119911014
Molecular FormulaC15H24Cl2N2O
Molecular Weight319.28 g/mol
Exact Mass318.13
IUPAC Name1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
SMILESCC(N)C1CCCCN1CCOc1ccc(Cl)cc1.Cl
InChIInChI=1S/C15H23ClN2O.ClH/c1-12(17)15-4-2-3-9-18(15)10-11-19-14-7-5-13(16)6-8-14;/h5-8,12,15H,2-4,9-11,17H2,1H3;1H
InChIKeyHHCVCKCBRRBIQV-UHFFFAOYSA-N
XLogP3.34
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.28
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
CID 63255626
1-[1-[2-(4-ethoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911329
1-[1-[2-(4-methoxyphenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911308
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908
1-[1-[2-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine
CID 63256082
1-[2-[2-[2-(1-aminoethyl)piperidin-1-yl]ethoxy]phenyl]ethanone
CID 63255392
2-[(4-chlorophenyl)methyl]-1-[2-(4-fluorophenoxy)ethyl]piperidine;hydrochloride
CID 18621618
1-[2-(4-chlorophenoxy)ethyl]-2-[(4-fluorophenyl)methyl]piperidine
CID 70113962
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-2-yl]ethanamine
CID 120980242
2-[[2-(1-aminoethyl)piperidin-1-yl]methyl]-4-chlorophenol
CID 63254307
1-[1-[[4-(trifluoromethoxy)phenyl]methyl]piperidin-2-yl]ethanamine
CID 63254456

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride (CID 119911014) is 1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride is CC(N)C1CCCCN1CCOc1ccc(Cl)cc1.Cl.
What is the InChIKey of 1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
The InChIKey is HHCVCKCBRRBIQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O.ClH/c1-12(17)15-4-2-3-9-18(15)10-11-19-14-7-5-13(16)6-8-14;/h5-8,12,15H,2-4,9-11,17H2,1H3;1H.
What are the key properties of 1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride?
1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride has a molecular weight of 319.28 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119911014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).