3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine

C16H26N2 — CID 62780033

IUPAC3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
SMILESCCC1CCN(C(CCN)c2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-2-14-9-12-18(13-10-14)16(8-11-17)15-6-4-3-5-7-15/h3-7,14,16H,2,8-13,17H2,1H3
InChIKeyNGKFIRJFMCBNHS-UHFFFAOYSA-N
MW246.40 g/mol
LogP3.20
Rot. Bonds5

About 3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine

3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine (PubChem CID 62780033) has the molecular formula C16H26N2 and a molecular weight of 246.40 g/mol. Its IUPAC name is 3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine.

Molecular Properties

Compound Name3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
PubChem CID62780033
Molecular FormulaC16H26N2
Molecular Weight246.40 g/mol
Exact Mass246.21
IUPAC Name3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine
SMILESCCC1CCN(C(CCN)c2ccccc2)CC1
InChIInChI=1S/C16H26N2/c1-2-14-9-12-18(13-10-14)16(8-11-17)15-6-4-3-5-7-15/h3-7,14,16H,2,8-13,17H2,1H3
InChIKeyNGKFIRJFMCBNHS-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-phenyl-3-(4-propan-2-ylpiperidin-1-yl)propan-1-amine
CID 103494242
3-phenyl-3-(3-propylpyrrolidin-1-yl)propan-1-amine
CID 113417035
methyl 1-(3-amino-1-phenylpropyl)piperidine-4-carboxylate
CID 63382677
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
2-(4-ethylpiperidin-1-yl)-3-phenylbutan-1-amine
CID 61421182
2-(4-bromophenyl)-2-(4-ethylpiperidin-1-yl)ethanamine
CID 61421143
1-(1-phenylbutyl)piperidine-4-carboxylic acid
CID 65056613
N-phenyl-1-(1-phenylbutyl)piperidin-4-amine
CID 70111366
[4-ethyl-1-(1-phenylbutyl)piperidin-2-yl]methanamine
CID 103351865
3-(3-morpholin-4-ylpyrrolidin-1-yl)-3-phenylpropan-1-amine
CID 63171689
2-(4-ethylpiperidin-1-yl)-2-(2-methoxyphenyl)ethanamine
CID 61420799
2-(3-ethylazetidin-1-yl)-2-phenylethanol
CID 104549564

Frequently Asked Questions

What is the IUPAC name of 3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine?
The IUPAC name of 3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine (CID 62780033) is 3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine.
What is the SMILES notation for 3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine?
The canonical SMILES for 3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine is CCC1CCN(C(CCN)c2ccccc2)CC1.
What is the InChIKey of 3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine?
The InChIKey is NGKFIRJFMCBNHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2/c1-2-14-9-12-18(13-10-14)16(8-11-17)15-6-4-3-5-7-15/h3-7,14,16H,2,8-13,17H2,1H3.
What are the key properties of 3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine?
3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine has a molecular weight of 246.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-ethylpiperidin-1-yl)-3-phenylpropan-1-amine is sourced from PubChem (CID 62780033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).