2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol

C18H30N2O — CID 65234970

IUPAC2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol
SMILESCCCNC1(CCO)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-2-12-19-18(11-16-21)9-14-20(15-10-18)13-8-17-6-4-3-5-7-17/h3-7,19,21H,2,8-16H2,1H3
InChIKeyPZZUSTWJOIVQLS-UHFFFAOYSA-N
MW290.45 g/mol
LogP2.45
Rot. Bonds8

About 2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol

2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol (PubChem CID 65234970) has the molecular formula C18H30N2O and a molecular weight of 290.45 g/mol. Its IUPAC name is 2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol.

Molecular Properties

Compound Name2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol
PubChem CID65234970
Molecular FormulaC18H30N2O
Molecular Weight290.45 g/mol
Exact Mass290.24
IUPAC Name2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol
SMILESCCCNC1(CCO)CCN(CCc2ccccc2)CC1
InChIInChI=1S/C18H30N2O/c1-2-12-19-18(11-16-21)9-14-20(15-10-18)13-8-17-6-4-3-5-7-17/h3-7,19,21H,2,8-16H2,1H3
InChIKeyPZZUSTWJOIVQLS-UHFFFAOYSA-N
XLogP2.45
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.45
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-1-(2-phenylethyl)-N-propylpiperidin-4-amine
CID 80610896
2-[4-phenyl-1-(propylamino)cyclohexyl]ethanol
CID 65235269
4-(aminomethyl)-1-benzyl-N-propylpiperidin-4-amine
CID 55030312
(3S,4R)-4-(hydroxymethyl)-1-(2-phenylethyl)-4-propylpiperidin-3-ol
CID 155912185
4-(2-phenylethyl)-N-propylpiperazine-1-carbothioamide
CID 2225307
4-methyl-1-(2-phenylethyl)azepan-4-ol
CID 107408153
4-(difluoromethyl)-1-(2-phenylethyl)piperidin-4-ol
CID 80604289
4-(benzylamino)-1-(2-phenylethyl)piperidine-4-carboxamide
CID 113225254
[4-(2-phenoxyethyl)-1-(2-phenylethyl)piperidin-4-yl]methanol
CID 126461306
(1S,3R)-7-(2-phenylethyl)-7-azaspiro[3.5]nonane-1,3-diol
CID 72916080
4-benzyl-1-(2-phenylethyl)piperidine-4-carboxylic acid
CID 122657647
1-[1-(2-phenylethyl)piperidin-4-yl]ethanol
CID 103656947

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol?
The IUPAC name of 2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol (CID 65234970) is 2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol.
What is the SMILES notation for 2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol?
The canonical SMILES for 2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol is CCCNC1(CCO)CCN(CCc2ccccc2)CC1.
What is the InChIKey of 2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol?
The InChIKey is PZZUSTWJOIVQLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O/c1-2-12-19-18(11-16-21)9-14-20(15-10-18)13-8-17-6-4-3-5-7-17/h3-7,19,21H,2,8-16H2,1H3.
What are the key properties of 2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol?
2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol has a molecular weight of 290.45 g/mol, XLogP of 2.45, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-phenylethyl)-4-(propylamino)piperidin-4-yl]ethanol is sourced from PubChem (CID 65234970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).