3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine

C27H46N2O — CID 141142686

IUPAC3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine
SMILESCCOCCCCC(c1ccccc1)C1CCCN(C(CN)CC2CCCCC2)C1
InChIInChI=1S/C27H46N2O/c1-2-30-19-10-9-17-27(24-14-7-4-8-15-24)25-16-11-18-29(22-25)26(21-28)20-23-12-5-3-6-13-23/h4,7-8,14-15,23,25-27H,2-3,5-6,9-13,16-22,28H2,1H3
InChIKeyVWSGQXSFFMWSEG-UHFFFAOYSA-N
MW414.68 g/mol
LogP5.99
Rot. Bonds12

About 3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine

3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine (PubChem CID 141142686) has the molecular formula C27H46N2O and a molecular weight of 414.68 g/mol. Its IUPAC name is 3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine.

Molecular Properties

Compound Name3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine
PubChem CID141142686
Molecular FormulaC27H46N2O
Molecular Weight414.68 g/mol
Exact Mass414.36
IUPAC Name3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine
SMILESCCOCCCCC(c1ccccc1)C1CCCN(C(CN)CC2CCCCC2)C1
InChIInChI=1S/C27H46N2O/c1-2-30-19-10-9-17-27(24-14-7-4-8-15-24)25-16-11-18-29(22-25)26(21-28)20-23-12-5-3-6-13-23/h4,7-8,14-15,23,25-27H,2-3,5-6,9-13,16-22,28H2,1H3
InChIKeyVWSGQXSFFMWSEG-UHFFFAOYSA-N
XLogP5.99
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.68
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-cyclohexyl-2-[3-[3-methoxypropoxy(phenyl)methyl]piperidin-1-yl]propan-1-amine
CID 123870665
(3R)-N-[(2S)-1-amino-3-cyclohexylpropan-2-yl]-3-[3-ethoxypropoxy(phenyl)methyl]piperidine-1-carboxamide
CID 67193802
2-[3-(methoxymethyl)piperidin-1-yl]-3-phenylpropan-1-amine
CID 106586332
1-cyclobutylpentylbenzene
CID 90897767
4-(4-methoxy-1-phenylbutyl)piperidin-1-amine
CID 174726761
1-cyclohexylpentan-2-ylbenzene
CID 139744385
2-(azepan-1-yl)-3-cyclopropylpropan-1-amine
CID 82399266
(1-chloro-5-ethoxypentyl)benzene
CID 64506670
(2R)-2-[(3S)-3-methylpiperidin-1-yl]-2-phenylethanamine
CID 9160808
1-benzhydryl-3-ethylpiperidine
CID 22970041
ethyl (3S)-3-cyclohexyl-3-phenylpropanoate
CID 125468052
4-phenyl-2-(3-propoxypiperidin-1-yl)butan-1-amine
CID 62881276

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine?
The IUPAC name of 3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine (CID 141142686) is 3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine.
What is the SMILES notation for 3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine?
The canonical SMILES for 3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine is CCOCCCCC(c1ccccc1)C1CCCN(C(CN)CC2CCCCC2)C1.
What is the InChIKey of 3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine?
The InChIKey is VWSGQXSFFMWSEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H46N2O/c1-2-30-19-10-9-17-27(24-14-7-4-8-15-24)25-16-11-18-29(22-25)26(21-28)20-23-12-5-3-6-13-23/h4,7-8,14-15,23,25-27H,2-3,5-6,9-13,16-22,28H2,1H3.
What are the key properties of 3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine?
3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine has a molecular weight of 414.68 g/mol, XLogP of 5.99, 12 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-[3-(5-ethoxy-1-phenylpentyl)piperidin-1-yl]propan-1-amine is sourced from PubChem (CID 141142686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).