1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine

C17H28N2 — CID 81351660

IUPAC1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
SMILESCCN1CCCC(C(C)N[C@H](C)c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-4-19-12-8-11-17(13-19)15(3)18-14(2)16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18H,4,8,11-13H2,1-3H3/t14-,15?,17?/m1/s1
InChIKeyHVBJVBDJHXLXOJ-HPUBIQBYSA-N
MW260.43 g/mol
LogP3.46
Rot. Bonds5

About 1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine

1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine (PubChem CID 81351660) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
PubChem CID81351660
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
SMILESCCN1CCCC(C(C)N[C@H](C)c2ccccc2)C1
InChIInChI=1S/C17H28N2/c1-4-19-12-8-11-17(13-19)15(3)18-14(2)16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18H,4,8,11-13H2,1-3H3/t14-,15?,17?/m1/s1
InChIKeyHVBJVBDJHXLXOJ-HPUBIQBYSA-N
XLogP3.46
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.43
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(1-ethylpiperidin-3-yl)ethyl]-2-methyl-1-phenylpropan-1-amine
CID 43685359
1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
CID 43308467
1-(1-ethylpiperidin-3-yl)-N-(1-pyridin-2-ylethyl)ethanamine
CID 43308195
(1S)-1-cyclopentyl-N-[(1R)-1-phenylethyl]ethanamine
CID 67209455
N-[(1S)-1-(3-bromophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 81381973
N-[1-(1-ethylpiperidin-3-yl)ethyl]butan-2-amine
CID 43307389
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-(4-methylphenyl)propan-1-amine
CID 43714859
N-[1-(1-ethylpiperidin-3-yl)ethyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 61472215
N-[1-(1-ethylpiperidin-3-yl)ethyl]-4-propan-2-ylaniline
CID 43307715
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
CID 81363743
N-[1-(1-ethylpiperidin-3-yl)ethyl]hexan-3-amine
CID 62119464
N-[1-(2-fluorophenyl)ethyl]-1-(1-propylpiperidin-3-yl)ethanamine
CID 60928302

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine (CID 81351660) is 1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine is CCN1CCCC(C(C)N[C@H](C)c2ccccc2)C1.
What is the InChIKey of 1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine?
The InChIKey is HVBJVBDJHXLXOJ-HPUBIQBYSA-N. The full InChI is InChI=1S/C17H28N2/c1-4-19-12-8-11-17(13-19)15(3)18-14(2)16-9-6-5-7-10-16/h5-7,9-10,14-15,17-18H,4,8,11-13H2,1-3H3/t14-,15?,17?/m1/s1.
What are the key properties of 1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine?
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine has a molecular weight of 260.43 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine is sourced from PubChem (CID 81351660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).