1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol

C14H21NO2 — CID 117342846

IUPAC1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol
SMILESOCC(O)c1cccc(CC2CCCNC2)c1
InChIInChI=1S/C14H21NO2/c16-10-14(17)13-5-1-3-11(8-13)7-12-4-2-6-15-9-12/h1,3,5,8,12,14-17H,2,4,6-7,9-10H2
InChIKeySLUOKDRZZJOLGP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.25
Rot. Bonds4

About 1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol

1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol (PubChem CID 117342846) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol
PubChem CID117342846
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol
SMILESOCC(O)c1cccc(CC2CCCNC2)c1
InChIInChI=1S/C14H21NO2/c16-10-14(17)13-5-1-3-11(8-13)7-12-4-2-6-15-9-12/h1,3,5,8,12,14-17H,2,4,6-7,9-10H2
InChIKeySLUOKDRZZJOLGP-UHFFFAOYSA-N
XLogP1.25
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-propan-2-ylphenyl)methyl]piperidine
CID 84785652
3-(piperidin-3-ylmethyl)phenol
CID 57155980
3-[(3-methylphenyl)methyl]piperidine
CID 17039519
(3S)-3-[(3-methylphenyl)methyl]piperidine
CID 39345685
3-[[3-(4-tert-butylcyclohexyl)phenyl]methyl]piperidine
CID 117498825
3-[[3-(1,1-difluoroethyl)phenyl]methyl]piperidine
CID 84701353
1-methyl-1-[3-(piperidin-3-ylmethyl)phenyl]urea
CID 117371572
2-amino-4-(piperidin-3-ylmethyl)phenol
CID 117117980
1-methyl-4-[3-(piperidin-3-ylmethyl)phenyl]piperidine
CID 117434154
2-[benzyl(piperidin-3-ylmethyl)amino]-1-(3-methylphenyl)ethanol;hydrochloride
CID 120852327
[4-(azepan-3-ylmethyl)phenyl]methanol
CID 104680736
3-(azepan-4-ylmethyl)phenol
CID 83261812

Frequently Asked Questions

What is the IUPAC name of 1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol?
The IUPAC name of 1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol (CID 117342846) is 1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol is OCC(O)c1cccc(CC2CCCNC2)c1.
What is the InChIKey of 1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol?
The InChIKey is SLUOKDRZZJOLGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-10-14(17)13-5-1-3-11(8-13)7-12-4-2-6-15-9-12/h1,3,5,8,12,14-17H,2,4,6-7,9-10H2.
What are the key properties of 1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol?
1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol has a molecular weight of 235.33 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(piperidin-3-ylmethyl)phenyl]ethane-1,2-diol is sourced from PubChem (CID 117342846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).