1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol

C15H23NO — CID 117339227

IUPAC1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C15H23NO/c1-12(17)10-13-5-7-14(8-6-13)11-15-4-2-3-9-16-15/h5-8,12,15-17H,2-4,9-11H2,1H3
InChIKeySCEJAVUHHNLMHP-UHFFFAOYSA-N
MW233.36 g/mol
LogP2.29
Rot. Bonds4

About 1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol

1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol (PubChem CID 117339227) has the molecular formula C15H23NO and a molecular weight of 233.36 g/mol. Its IUPAC name is 1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol.

Molecular Properties

Compound Name1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
PubChem CID117339227
Molecular FormulaC15H23NO
Molecular Weight233.36 g/mol
Exact Mass233.18
IUPAC Name1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
SMILESCC(O)Cc1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C15H23NO/c1-12(17)10-13-5-7-14(8-6-13)11-15-4-2-3-9-16-15/h5-8,12,15-17H,2-4,9-11H2,1H3
InChIKeySCEJAVUHHNLMHP-UHFFFAOYSA-N
XLogP2.29
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.36
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[4-(2-methoxypropyl)phenyl]methyl]piperidine
CID 117371935
1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
1-(4-piperidin-2-ylphenyl)propan-2-ol
CID 117313125
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 82499085
1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
CID 117342823
1-[2-(pyrrolidin-2-ylmethyl)phenyl]propan-2-ol
CID 117118195
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
(2S)-2-[[4-(2-methylpropoxy)phenyl]methyl]piperidine
CID 39345713
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
CID 117118109
1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
CID 117118064

Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol?
The IUPAC name of 1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol (CID 117339227) is 1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol.
What is the SMILES notation for 1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol?
The canonical SMILES for 1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol is CC(O)Cc1ccc(CC2CCCCN2)cc1.
What is the InChIKey of 1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol?
The InChIKey is SCEJAVUHHNLMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-12(17)10-13-5-7-14(8-6-13)11-15-4-2-3-9-16-15/h5-8,12,15-17H,2-4,9-11H2,1H3.
What are the key properties of 1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol?
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol has a molecular weight of 233.36 g/mol, XLogP of 2.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol is sourced from PubChem (CID 117339227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).