1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol

C23H31NO2 — CID 70478390

IUPAC1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol
SMILESCCC(O)(c1ccccc1)C(COc1ccccc1)CN1CCCCC1
InChIInChI=1S/C23H31NO2/c1-2-23(25,20-12-6-3-7-13-20)21(18-24-16-10-5-11-17-24)19-26-22-14-8-4-9-15-22/h3-4,6-9,12-15,21,25H,2,5,10-11,16-19H2,1H3
InChIKeyRZPSZQFXASFAAM-UHFFFAOYSA-N
MW353.51 g/mol
LogP4.47
Rot. Bonds8

About 1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol

1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol (PubChem CID 70478390) has the molecular formula C23H31NO2 and a molecular weight of 353.51 g/mol. Its IUPAC name is 1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol.

Molecular Properties

Compound Name1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol
PubChem CID70478390
Molecular FormulaC23H31NO2
Molecular Weight353.51 g/mol
Exact Mass353.24
IUPAC Name1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol
SMILESCCC(O)(c1ccccc1)C(COc1ccccc1)CN1CCCCC1
InChIInChI=1S/C23H31NO2/c1-2-23(25,20-12-6-3-7-13-20)21(18-24-16-10-5-11-17-24)19-26-22-14-8-4-9-15-22/h3-4,6-9,12-15,21,25H,2,5,10-11,16-19H2,1H3
InChIKeyRZPSZQFXASFAAM-UHFFFAOYSA-N
XLogP4.47
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.51
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3R)-2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 29184942
2,3-diphenyl-1-piperidin-1-ylpentan-3-ol
CID 23607019
(2S,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-2-phenylhexan-3-ol
CID 40643748
(2R,3S)-3-(4-ethoxyphenyl)-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643792
2-(phenoxymethyl)-3-pyrrolidin-1-ylpropan-1-ol;hydrobromide
CID 67700058
3-methyl-1,1-diphenyl-4-pyrrolidin-1-ylbutan-1-ol;hydrochloride
CID 3060750
(2R,3S)-1-(azepan-1-yl)-3-(4-ethoxyphenyl)-6-methyl-2-phenylheptan-3-ol
CID 40643762
(2R,3S)-3-(4-ethoxyphenyl)-5-methyl-2-phenyl-1-pyrrolidin-1-ylhexan-3-ol
CID 40643810
1-(4-ethoxyphenyl)-1,2-diphenyl-3-pyrrolidin-1-ylpropan-1-ol;hydrochloride
CID 24748034
1-[4-(1,2-diphenylbut-1-enyl)phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 67847126
1-[4-[(Z)-1,2-diphenylbut-1-enyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-ol
CID 67847123
2-methyl-1-(4-methylpiperazin-1-yl)-3-phenylpentan-3-ol
CID 10125387

Frequently Asked Questions

What is the IUPAC name of 1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol?
The IUPAC name of 1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol (CID 70478390) is 1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol.
What is the SMILES notation for 1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol?
The canonical SMILES for 1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol is CCC(O)(c1ccccc1)C(COc1ccccc1)CN1CCCCC1.
What is the InChIKey of 1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol?
The InChIKey is RZPSZQFXASFAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31NO2/c1-2-23(25,20-12-6-3-7-13-20)21(18-24-16-10-5-11-17-24)19-26-22-14-8-4-9-15-22/h3-4,6-9,12-15,21,25H,2,5,10-11,16-19H2,1H3.
What are the key properties of 1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol?
1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol has a molecular weight of 353.51 g/mol, XLogP of 4.47, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenoxy-3-phenyl-2-(piperidin-1-ylmethyl)pentan-3-ol is sourced from PubChem (CID 70478390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).