1-(4-piperidin-2-ylphenyl)propan-2-ol

C14H21NO — CID 117313125

IUPAC1-(4-piperidin-2-ylphenyl)propan-2-ol
SMILESCC(O)Cc1ccc(C2CCCCN2)cc1
InChIInChI=1S/C14H21NO/c1-11(16)10-12-5-7-13(8-6-12)14-4-2-3-9-15-14/h5-8,11,14-16H,2-4,9-10H2,1H3
InChIKeyRAVPWTHXHBMEJJ-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds3

About 1-(4-piperidin-2-ylphenyl)propan-2-ol

1-(4-piperidin-2-ylphenyl)propan-2-ol (PubChem CID 117313125) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-(4-piperidin-2-ylphenyl)propan-2-ol.

Molecular Properties

Compound Name1-(4-piperidin-2-ylphenyl)propan-2-ol
PubChem CID117313125
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-(4-piperidin-2-ylphenyl)propan-2-ol
SMILESCC(O)Cc1ccc(C2CCCCN2)cc1
InChIInChI=1S/C14H21NO/c1-11(16)10-12-5-7-13(8-6-12)14-4-2-3-9-15-14/h5-8,11,14-16H,2-4,9-10H2,1H3
InChIKeyRAVPWTHXHBMEJJ-UHFFFAOYSA-N
XLogP2.42
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
(2S)-2-(4-propan-2-ylphenyl)piperidine;hydrochloride
CID 171194841
methyl 2-(4-pyrrolidin-2-ylphenyl)acetate
CID 70987357
methyl 2-[4-[(2R)-pyrrolidin-2-yl]phenyl]acetate
CID 66518883
4-piperidin-2-ylphenol
CID 19711202
2-[4-(3-fluoropropyl)phenyl]piperidine
CID 117316921
2-(4-tert-butylphenyl)piperidine
CID 4137790
(2R)-2-[4-(4-methylphenyl)phenyl]piperidine
CID 165347942
1-(4-cyclopentyloxyphenyl)propan-2-ol
CID 80502782
2-[3-(2-methylpropyl)phenyl]azepane
CID 116545597
(2S)-2-(4-bromophenyl)piperidine
CID 7022866
(2S)-2-phenylpiperidine
CID 10997356

Frequently Asked Questions

What is the IUPAC name of 1-(4-piperidin-2-ylphenyl)propan-2-ol?
The IUPAC name of 1-(4-piperidin-2-ylphenyl)propan-2-ol (CID 117313125) is 1-(4-piperidin-2-ylphenyl)propan-2-ol.
What is the SMILES notation for 1-(4-piperidin-2-ylphenyl)propan-2-ol?
The canonical SMILES for 1-(4-piperidin-2-ylphenyl)propan-2-ol is CC(O)Cc1ccc(C2CCCCN2)cc1.
What is the InChIKey of 1-(4-piperidin-2-ylphenyl)propan-2-ol?
The InChIKey is RAVPWTHXHBMEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(16)10-12-5-7-13(8-6-12)14-4-2-3-9-15-14/h5-8,11,14-16H,2-4,9-10H2,1H3.
What are the key properties of 1-(4-piperidin-2-ylphenyl)propan-2-ol?
1-(4-piperidin-2-ylphenyl)propan-2-ol has a molecular weight of 219.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-piperidin-2-ylphenyl)propan-2-ol is sourced from PubChem (CID 117313125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).