1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine

C18H30N2 — CID 81363743

IUPAC1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
SMILESCCN1CCC(C(C)N[C@@H](C)c2cccc(C)c2)CC1
InChIInChI=1S/C18H30N2/c1-5-20-11-9-17(10-12-20)15(3)19-16(4)18-8-6-7-14(2)13-18/h6-8,13,15-17,19H,5,9-12H2,1-4H3/t15?,16-/m0/s1
InChIKeyBARHYFYYBJVVTE-LYKKTTPLSA-N
MW274.45 g/mol
LogP3.77
Rot. Bonds5

About 1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine

1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine (PubChem CID 81363743) has the molecular formula C18H30N2 and a molecular weight of 274.45 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
PubChem CID81363743
Molecular FormulaC18H30N2
Molecular Weight274.45 g/mol
Exact Mass274.24
IUPAC Name1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine
SMILESCCN1CCC(C(C)N[C@@H](C)c2cccc(C)c2)CC1
InChIInChI=1S/C18H30N2/c1-5-20-11-9-17(10-12-20)15(3)19-16(4)18-8-6-7-14(2)13-18/h6-8,13,15-17,19H,5,9-12H2,1-4H3/t15?,16-/m0/s1
InChIKeyBARHYFYYBJVVTE-LYKKTTPLSA-N
XLogP3.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.45
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1-ethylpiperidin-4-yl)-N-[(1R)-1-(4-methylphenyl)ethyl]ethanamine
CID 81349060
N-[(1S)-1-(3-methylphenyl)ethyl]-1-(1-methylpiperidin-3-yl)ethanamine
CID 81360507
3-[1-[1-(1-propylpiperidin-4-yl)ethylamino]ethyl]phenol
CID 43748462
1-(1-ethylpiperidin-4-yl)-N-[2-(3-methylphenyl)ethyl]ethanamine
CID 62315357
4-[1-[1-(1-ethylpiperidin-4-yl)ethylamino]ethyl]benzonitrile
CID 43692381
1-(1-ethylpiperidin-3-yl)-N-[1-(3-fluorophenyl)ethyl]ethanamine
CID 43308467
1-(1-ethylpiperidin-3-yl)-N-[(1R)-1-phenylethyl]ethanamine
CID 81351660
N-[(1R)-1-(2-chlorophenyl)ethyl]-1-(1-ethylpiperidin-4-yl)ethanamine
CID 81377394
1-(1-ethylpiperidin-4-yl)-N-[1-(5-methylthiophen-2-yl)ethyl]ethanamine
CID 61473504
N-[1-(1-ethylpiperidin-4-yl)ethyl]-1-phenylbutan-1-amine
CID 43720301
N-[1-(1-ethylpiperidin-4-yl)ethyl]-2,4-dimethylaniline
CID 43307344
(1S)-N-[(1S)-1-(3-bromophenyl)ethyl]-1-cyclopropylethanamine
CID 93102752

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine (CID 81363743) is 1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine is CCN1CCC(C(C)N[C@@H](C)c2cccc(C)c2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine?
The InChIKey is BARHYFYYBJVVTE-LYKKTTPLSA-N. The full InChI is InChI=1S/C18H30N2/c1-5-20-11-9-17(10-12-20)15(3)19-16(4)18-8-6-7-14(2)13-18/h6-8,13,15-17,19H,5,9-12H2,1-4H3/t15?,16-/m0/s1.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine?
1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine has a molecular weight of 274.45 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-N-[(1S)-1-(3-methylphenyl)ethyl]ethanamine is sourced from PubChem (CID 81363743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).