2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine

C17H28N2 — CID 61421182

IUPAC2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine
SMILESCCC1CCN(C(CN)C(C)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-3-15-9-11-19(12-10-15)17(13-18)14(2)16-7-5-4-6-8-16/h4-8,14-15,17H,3,9-13,18H2,1-2H3
InChIKeyBNYXRIOQIYRAPK-UHFFFAOYSA-N
MW260.43 g/mol
LogP3.24
Rot. Bonds5

About 2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine

2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine (PubChem CID 61421182) has the molecular formula C17H28N2 and a molecular weight of 260.43 g/mol. Its IUPAC name is 2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine.

Molecular Properties

Compound Name2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine
PubChem CID61421182
Molecular FormulaC17H28N2
Molecular Weight260.43 g/mol
Exact Mass260.23
IUPAC Name2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine
SMILESCCC1CCN(C(CN)C(C)c2ccccc2)CC1
InChIInChI=1S/C17H28N2/c1-3-15-9-11-19(12-10-15)17(13-18)14(2)16-7-5-4-6-8-16/h4-8,14-15,17H,3,9-13,18H2,1-2H3
InChIKeyBNYXRIOQIYRAPK-UHFFFAOYSA-N
XLogP3.24
TPSA29.26 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 ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 63973836
2-(4-ethoxypiperidin-1-yl)-3-phenylbutan-1-amine
CID 61218423
2-(3-methylpyrrolidin-1-yl)-3-phenylbutan-1-amine
CID 61222019
2-(4,4-dimethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 62937911
3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
CID 62780033
2-(3-methylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61099951
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylbutan-1-amine
CID 106586416
2-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-3-phenylbutan-1-amine
CID 104958196
[(3R)-1-[(1S)-1-phenylethyl]pyrrolidin-3-yl]methanamine
CID 2237132
2-(3-ethylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 113417146
4-methyl-1-(3-phenylbutan-2-yl)piperidine
CID 176713457
2-(4-ethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanamine
CID 61420799

Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine?
The IUPAC name of 2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine (CID 61421182) is 2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine.
What is the SMILES notation for 2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine?
The canonical SMILES for 2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine is CCC1CCN(C(CN)C(C)c2ccccc2)CC1.
What is the InChIKey of 2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine?
The InChIKey is BNYXRIOQIYRAPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N2/c1-3-15-9-11-19(12-10-15)17(13-18)14(2)16-7-5-4-6-8-16/h4-8,14-15,17H,3,9-13,18H2,1-2H3.
What are the key properties of 2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine?
2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine has a molecular weight of 260.43 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine is sourced from PubChem (CID 61421182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).