3-(piperidin-3-ylmethyl)phenol

C12H17NO — CID 57155980

IUPAC3-(piperidin-3-ylmethyl)phenol
SMILESOc1cccc(CC2CCCNC2)c1
InChIInChI=1S/C12H17NO/c14-12-5-1-3-10(8-12)7-11-4-2-6-13-9-11/h1,3,5,8,11,13-14H,2,4,6-7,9H2
InChIKeyXYTJSRPKZDWKLG-UHFFFAOYSA-N
MW191.27 g/mol
LogP1.93
Rot. Bonds2

About 3-(piperidin-3-ylmethyl)phenol

3-(piperidin-3-ylmethyl)phenol (PubChem CID 57155980) has the molecular formula C12H17NO and a molecular weight of 191.27 g/mol. Its IUPAC name is 3-(piperidin-3-ylmethyl)phenol.

Molecular Properties

Compound Name3-(piperidin-3-ylmethyl)phenol
PubChem CID57155980
Molecular FormulaC12H17NO
Molecular Weight191.27 g/mol
Exact Mass191.13
IUPAC Name3-(piperidin-3-ylmethyl)phenol
SMILESOc1cccc(CC2CCCNC2)c1
InChIInChI=1S/C12H17NO/c14-12-5-1-3-10(8-12)7-11-4-2-6-13-9-11/h1,3,5,8,11,13-14H,2,4,6-7,9H2
InChIKeyXYTJSRPKZDWKLG-UHFFFAOYSA-N
XLogP1.93
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.27
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3-(azepan-4-ylmethyl)phenol
CID 83261812
1-(3-hydroxyphenyl)-3-piperidin-3-ylpropan-2-one
CID 116564113
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
2-amino-4-(piperidin-3-ylmethyl)phenol
CID 117117980
3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol
CID 117342846
3-methyl-5-(piperidin-3-ylmethyl)phenol
CID 84778623
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572
3-[[methyl(piperidin-3-yl)amino]methyl]phenol
CID 63644225
3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
CID 117498825

Frequently Asked Questions

What is the IUPAC name of 3-(piperidin-3-ylmethyl)phenol?
The IUPAC name of 3-(piperidin-3-ylmethyl)phenol (CID 57155980) is 3-(piperidin-3-ylmethyl)phenol.
What is the SMILES notation for 3-(piperidin-3-ylmethyl)phenol?
The canonical SMILES for 3-(piperidin-3-ylmethyl)phenol is Oc1cccc(CC2CCCNC2)c1.
What is the InChIKey of 3-(piperidin-3-ylmethyl)phenol?
The InChIKey is XYTJSRPKZDWKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO/c14-12-5-1-3-10(8-12)7-11-4-2-6-13-9-11/h1,3,5,8,11,13-14H,2,4,6-7,9H2.
What are the key properties of 3-(piperidin-3-ylmethyl)phenol?
3-(piperidin-3-ylmethyl)phenol has a molecular weight of 191.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperidin-3-ylmethyl)phenol is sourced from PubChem (CID 57155980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).