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

C16H25ClN2O — CID 63255626

IUPAC1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-13(18)16-5-2-3-10-19(16)11-4-12-20-15-8-6-14(17)7-9-15/h6-9,13,16H,2-5,10-12,18H2,1H3
InChIKeyFVUSYUUIJXEKRS-UHFFFAOYSA-N
MW296.84 g/mol
LogP3.31
Rot. Bonds6

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

1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine (PubChem CID 63255626) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
PubChem CID63255626
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine
SMILESCC(N)C1CCCCN1CCCOc1ccc(Cl)cc1
InChIInChI=1S/C16H25ClN2O/c1-13(18)16-5-2-3-10-19(16)11-4-12-20-15-8-6-14(17)7-9-15/h6-9,13,16H,2-5,10-12,18H2,1H3
InChIKeyFVUSYUUIJXEKRS-UHFFFAOYSA-N
XLogP3.31
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[1-[2-(4-chlorophenoxy)ethyl]piperidin-2-yl]ethanamine;hydrochloride
CID 119911014
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-(4-chlorophenyl)sulfonylethyl]piperidin-2-yl]ethanamine
CID 63256082
2-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanol
CID 60690500
1-[1-[2-(3-methylphenoxy)ethyl]piperidin-2-yl]ethanamine
CID 63255908
1-[3-(4-chlorophenoxy)propyl]azepane-2-carboxylic acid
CID 64563566
2-methyl-1-[3-(4-methylphenoxy)propyl]piperidine
CID 11948033
1-[1-[(2,6-dichlorophenyl)methyl]piperidin-2-yl]ethanamine
CID 55168005
[4-[3-(2-methylpiperidin-1-yl)propoxy]phenyl]methanamine
CID 43253349
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-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine?
The IUPAC name of 1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine (CID 63255626) is 1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine.
What is the SMILES notation for 1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine?
The canonical SMILES for 1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine is CC(N)C1CCCCN1CCCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine?
The InChIKey is FVUSYUUIJXEKRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-13(18)16-5-2-3-10-19(16)11-4-12-20-15-8-6-14(17)7-9-15/h6-9,13,16H,2-5,10-12,18H2,1H3.
What are the key properties of 1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine?
1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine has a molecular weight of 296.84 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[3-(4-chlorophenoxy)propyl]piperidin-2-yl]ethanamine is sourced from PubChem (CID 63255626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).