1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol

C14H21NO2 — CID 55094317

IUPAC1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
SMILESOC1CCCN(CCC(O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2/c16-13-7-4-9-15(11-13)10-8-14(17)12-5-2-1-3-6-12/h1-3,5-6,13-14,16-17H,4,7-11H2
InChIKeyUJWNSFLVVMINKE-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.57
Rot. Bonds4

About 1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol

1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol (PubChem CID 55094317) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol.

Molecular Properties

Compound Name1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
PubChem CID55094317
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol
SMILESOC1CCCN(CCC(O)c2ccccc2)C1
InChIInChI=1S/C14H21NO2/c16-13-7-4-9-15(11-13)10-8-14(17)12-5-2-1-3-6-12/h1-3,5-6,13-14,16-17H,4,7-11H2
InChIKeyUJWNSFLVVMINKE-UHFFFAOYSA-N
XLogP1.57
TPSA43.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-hydroxy-3-phenylpropyl)pyrrolidin-3-ol
CID 62943227
(1R)-3-(3-aminopiperidin-1-yl)-1-phenylpropan-1-ol
CID 112742222
3-(3,4-dimethylpiperidin-1-yl)-1-phenylpropan-1-ol
CID 22770544
3-(3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl)-1-phenylpropan-1-ol
CID 115562031
1-[3-(4-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 55131757
1-[3-(3-chlorophenyl)-3-hydroxypropyl]pyrrolidin-3-ol
CID 62941193
1-(4-phenylphenyl)-3-pyrrolidin-1-ylpropan-1-ol
CID 70278414
(1R)-3-[2-[(3R)-3-hydroxy-3-phenylpropyl]-2,8-diazaspiro[5.5]undecan-8-yl]-1-phenylpropan-1-ol
CID 166211934
3-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)-1-phenylpropan-1-ol
CID 62613754
1-(4-tert-butylphenyl)-3-(3-methylpiperidin-1-yl)propan-1-ol
CID 82105507
1-[3-amino-3-(3-methylphenyl)propyl]piperidin-3-ol
CID 62623074
3-(azepan-1-yl)-1-[4-[3-(azepan-1-yl)-1-hydroxypropyl]phenyl]propan-1-ol
CID 3774419

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol?
The IUPAC name of 1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol (CID 55094317) is 1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol.
What is the SMILES notation for 1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol?
The canonical SMILES for 1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol is OC1CCCN(CCC(O)c2ccccc2)C1.
What is the InChIKey of 1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol?
The InChIKey is UJWNSFLVVMINKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-13-7-4-9-15(11-13)10-8-14(17)12-5-2-1-3-6-12/h1-3,5-6,13-14,16-17H,4,7-11H2.
What are the key properties of 1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol?
1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol has a molecular weight of 235.33 g/mol, XLogP of 1.57, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-3-phenylpropyl)piperidin-3-ol is sourced from PubChem (CID 55094317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).