1-[3-(piperidin-2-ylmethyl)phenyl]ethanol

C14H21NO — CID 117118064

IUPAC1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
SMILESCC(O)c1cccc(CC2CCCCN2)c1
InChIInChI=1S/C14H21NO/c1-11(16)13-6-4-5-12(9-13)10-14-7-2-3-8-15-14/h4-6,9,11,14-16H,2-3,7-8,10H2,1H3
InChIKeyOIOPLCFBNRICCA-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.42
Rot. Bonds3

About 1-[3-(piperidin-2-ylmethyl)phenyl]ethanol

1-[3-(piperidin-2-ylmethyl)phenyl]ethanol (PubChem CID 117118064) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[3-(piperidin-2-ylmethyl)phenyl]ethanol.

Molecular Properties

Compound Name1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
PubChem CID117118064
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC Name1-[3-(piperidin-2-ylmethyl)phenyl]ethanol
SMILESCC(O)c1cccc(CC2CCCCN2)c1
InChIInChI=1S/C14H21NO/c1-11(16)13-6-4-5-12(9-13)10-14-7-2-3-8-15-14/h4-6,9,11,14-16H,2-3,7-8,10H2,1H3
InChIKeyOIOPLCFBNRICCA-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-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
2-[(3-methylsulfanylphenyl)methyl]piperidine
CID 117317206
2-[(3-chlorophenyl)methyl]azepane
CID 5094056
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
1-(3-piperidin-2-ylphenyl)ethanol
CID 117116288
N-[3-(azepan-2-ylmethyl)phenyl]acetamide
CID 70141371
1-[3-(pyrrolidin-2-ylmethyl)phenyl]cyclopropan-1-ol
CID 117118207
(2S)-2-[(3-chlorophenyl)methyl]pyrrolidine
CID 7022802
1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
CID 117342823
1-[2-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117118193
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703

Frequently Asked Questions

What is the IUPAC name of 1-[3-(piperidin-2-ylmethyl)phenyl]ethanol?
The IUPAC name of 1-[3-(piperidin-2-ylmethyl)phenyl]ethanol (CID 117118064) is 1-[3-(piperidin-2-ylmethyl)phenyl]ethanol.
What is the SMILES notation for 1-[3-(piperidin-2-ylmethyl)phenyl]ethanol?
The canonical SMILES for 1-[3-(piperidin-2-ylmethyl)phenyl]ethanol is CC(O)c1cccc(CC2CCCCN2)c1.
What is the InChIKey of 1-[3-(piperidin-2-ylmethyl)phenyl]ethanol?
The InChIKey is OIOPLCFBNRICCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-11(16)13-6-4-5-12(9-13)10-14-7-2-3-8-15-14/h4-6,9,11,14-16H,2-3,7-8,10H2,1H3.
What are the key properties of 1-[3-(piperidin-2-ylmethyl)phenyl]ethanol?
1-[3-(piperidin-2-ylmethyl)phenyl]ethanol 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-[3-(piperidin-2-ylmethyl)phenyl]ethanol is sourced from PubChem (CID 117118064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).