1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine

C16H25ClN2 — CID 55015385

IUPAC1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
SMILESCCC1CCN(C(c2ccc(Cl)cc2)C(C)N)CC1
InChIInChI=1S/C16H25ClN2/c1-3-13-8-10-19(11-9-13)16(12(2)18)14-4-6-15(17)7-5-14/h4-7,12-13,16H,3,8-11,18H2,1-2H3
InChIKeyFXNLTGYUEBRWQF-UHFFFAOYSA-N
MW280.84 g/mol
LogP3.85
Rot. Bonds4

About 1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine

1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine (PubChem CID 55015385) has the molecular formula C16H25ClN2 and a molecular weight of 280.84 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
PubChem CID55015385
Molecular FormulaC16H25ClN2
Molecular Weight280.84 g/mol
Exact Mass280.17
IUPAC Name1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
SMILESCCC1CCN(C(c2ccc(Cl)cc2)C(C)N)CC1
InChIInChI=1S/C16H25ClN2/c1-3-13-8-10-19(11-9-13)16(12(2)18)14-4-6-15(17)7-5-14/h4-7,12-13,16H,3,8-11,18H2,1-2H3
InChIKeyFXNLTGYUEBRWQF-UHFFFAOYSA-N
XLogP3.85
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.84
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine
CID 55019889
1-(4-butan-2-ylpiperazin-1-yl)-1-(4-chlorophenyl)propan-2-amine
CID 62774780
1-[2-amino-1-(4-chlorophenyl)propyl]pyrrolidin-3-ol
CID 62942234
1-[2-amino-1-(4-chlorophenyl)propyl]-4-methylpiperidin-3-ol
CID 102955977
1-(4-chlorophenyl)-2-(4-ethylpiperidin-1-yl)propan-1-one
CID 61421542
1-(4-chlorophenyl)-1-(4-methylazepan-1-yl)butan-2-amine
CID 63624404
1-[1-(4-chlorophenyl)ethyl]piperidin-4-amine
CID 43130879
[1-[1-(4-chlorophenyl)ethyl]-4-ethylpiperidin-2-yl]methanamine
CID 103351643
1-[1-(4-chlorophenyl)propyl]piperidin-4-amine;hydrochloride
CID 119908754
1-[1-[2-amino-1-(4-methylphenyl)propyl]piperidin-4-yl]ethanol
CID 106835504
1-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-1-(4-chlorophenyl)propan-2-amine
CID 79916023
1-(4-chlorophenyl)-1-thiomorpholin-4-ylbutan-2-amine
CID 55015329

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine?
The IUPAC name of 1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine (CID 55015385) is 1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine.
What is the SMILES notation for 1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine?
The canonical SMILES for 1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine is CCC1CCN(C(c2ccc(Cl)cc2)C(C)N)CC1.
What is the InChIKey of 1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine?
The InChIKey is FXNLTGYUEBRWQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2/c1-3-13-8-10-19(11-9-13)16(12(2)18)14-4-6-15(17)7-5-14/h4-7,12-13,16H,3,8-11,18H2,1-2H3.
What are the key properties of 1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine?
1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine has a molecular weight of 280.84 g/mol, XLogP of 3.85, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-1-(4-ethylpiperidin-1-yl)propan-2-amine is sourced from PubChem (CID 55015385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).