1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride

C16H27ClN2 — CID 119925499

IUPAC1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCCC(c1ccccc1)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-3-16(14-8-5-4-6-9-14)18-11-7-10-15(12-18)13(2)17;/h4-6,8-9,13,15-16H,3,7,10-12,17H2,1-2H3;1H
InChIKeyPLBXQMBRVGJERA-UHFFFAOYSA-N
MW282.86 g/mol
LogP3.62
Rot. Bonds4

About 1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride

1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride (PubChem CID 119925499) has the molecular formula C16H27ClN2 and a molecular weight of 282.86 g/mol. Its IUPAC name is 1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride.

Molecular Properties

Compound Name1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride
PubChem CID119925499
Molecular FormulaC16H27ClN2
Molecular Weight282.86 g/mol
Exact Mass282.19
IUPAC Name1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride
SMILESCCC(c1ccccc1)N1CCCC(C(C)N)C1.Cl
InChIInChI=1S/C16H26N2.ClH/c1-3-16(14-8-5-4-6-9-14)18-11-7-10-15(12-18)13(2)17;/h4-6,8-9,13,15-16H,3,7,10-12,17H2,1-2H3;1H
InChIKeyPLBXQMBRVGJERA-UHFFFAOYSA-N
XLogP3.62
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.86
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[3-(1-aminoethyl)piperidin-1-yl]-2-phenylbutan-1-one;hydrochloride
CID 119595885
1-[(1R)-1-phenylpropyl]azepane
CID 97315480
1-[1-(1-thiophen-2-ylpropyl)pyrrolidin-3-yl]ethanamine
CID 103975639
3-(1-phenylpropyl)-7-oxa-3-azabicyclo[4.1.0]heptane
CID 87349860
[1-(1-phenylpropyl)pyrrolidin-2-yl]methanamine
CID 115311606
1-[1-[1-(3-chlorophenyl)ethyl]piperidin-3-yl]ethanamine;hydrochloride
CID 119925793
(3R)-1-(1-phenylpropyl)pyrrolidin-3-ol
CID 111332576
3-methyl-1-(1-phenylpropyl)piperidin-4-amine
CID 55058050
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
CID 55216289
1-(1-phenylethyl)-3-propan-2-ylpiperidine
CID 134236210
4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 63595309
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride?
The IUPAC name of 1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride (CID 119925499) is 1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride.
What is the SMILES notation for 1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride?
The canonical SMILES for 1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride is CCC(c1ccccc1)N1CCCC(C(C)N)C1.Cl.
What is the InChIKey of 1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride?
The InChIKey is PLBXQMBRVGJERA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2.ClH/c1-3-16(14-8-5-4-6-9-14)18-11-7-10-15(12-18)13(2)17;/h4-6,8-9,13,15-16H,3,7,10-12,17H2,1-2H3;1H.
What are the key properties of 1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride?
1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride has a molecular weight of 282.86 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride is sourced from PubChem (CID 119925499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).