1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine

C17H28N2 — CID 55216289

IUPAC1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
SMILESCCC(c1ccc(C)cc1)N1CCC(C(C)N)CC1
InChIInChI=1S/C17H28N2/c1-4-17(16-7-5-13(2)6-8-16)19-11-9-15(10-12-19)14(3)18/h5-8,14-15,17H,4,9-12,18H2,1-3H3
InChIKeyZPYPSBVITOURJJ-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.51
Rot. Bonds4

About 1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine

1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine (PubChem CID 55216289) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
PubChem CID55216289
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine
SMILESCCC(c1ccc(C)cc1)N1CCC(C(C)N)CC1
InChIInChI=1S/C17H28N2/c1-4-17(16-7-5-13(2)6-8-16)19-11-9-15(10-12-19)14(3)18/h5-8,14-15,17H,4,9-12,18H2,1-3H3
InChIKeyZPYPSBVITOURJJ-UHFFFAOYSA-N
XLogP3.51
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[1-[4-(1-aminoethyl)piperidin-1-yl]propyl]phenol
CID 63595309
1-[1-[1-(4-methoxyphenyl)propyl]piperidin-4-yl]ethanamine
CID 63595827
N-[[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]methyl]ethanamine
CID 80550733
1-[4-[1-(4-methylphenyl)propyl]morpholin-2-yl]ethanamine
CID 115314999
1-[1-(4-methylphenyl)propyl]piperidin-3-amine
CID 61297923
[4-methyl-1-[1-(4-methylphenyl)propyl]piperidin-3-yl]methanamine
CID 114960002
1-[(1R)-1-(4-methylphenyl)propyl]piperazine;dihydrochloride
CID 171294154
1-[2-amino-1-(4-methylphenyl)ethyl]piperidin-4-ol
CID 55016646
1-[4-(1-aminoethyl)piperidin-1-yl]-3-(4-methylphenyl)pentan-1-one;hydrochloride
CID 119517112
1-[1-(1-phenylpropyl)piperidin-3-yl]ethanamine;hydrochloride
CID 119925499
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

Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine?
The IUPAC name of 1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine (CID 55216289) is 1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine.
What is the SMILES notation for 1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine?
The canonical SMILES for 1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine is CCC(c1ccc(C)cc1)N1CCC(C(C)N)CC1.
What is the InChIKey of 1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine?
The InChIKey is ZPYPSBVITOURJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-17(16-7-5-13(2)6-8-16)19-11-9-15(10-12-19)14(3)18/h5-8,14-15,17H,4,9-12,18H2,1-3H3.
What are the key properties of 1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine?
1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(4-methylphenyl)propyl]piperidin-4-yl]ethanamine is sourced from PubChem (CID 55216289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).