1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol

C14H21NO2 — CID 117342823

IUPAC1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
SMILESOCC(O)c1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C14H21NO2/c16-10-14(17)12-6-4-11(5-7-12)9-13-3-1-2-8-15-13/h4-7,13-17H,1-3,8-10H2
InChIKeyBFSZCGGSNHQLBU-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.40
Rot. Bonds4

About 1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol

1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol (PubChem CID 117342823) has the molecular formula C14H21NO2 and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol.

Molecular Properties

Compound Name1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
PubChem CID117342823
Molecular FormulaC14H21NO2
Molecular Weight235.33 g/mol
Exact Mass235.16
IUPAC Name1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol
SMILESOCC(O)c1ccc(CC2CCCCN2)cc1
InChIInChI=1S/C14H21NO2/c16-10-14(17)12-6-4-11(5-7-12)9-13-3-1-2-8-15-13/h4-7,13-17H,1-3,8-10H2
InChIKeyBFSZCGGSNHQLBU-UHFFFAOYSA-N
XLogP1.40
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 ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(pyrrolidin-2-ylmethyl)phenyl]ethanol
CID 117293818
1-[4-(piperidin-2-ylmethyl)phenyl]propan-2-ol
CID 117339227
2-[(4-butan-2-ylphenyl)methyl]piperidine
CID 82341703
2-[(4-propan-2-ylphenyl)methyl]pyrrolidine
CID 14921538
(2R)-2-[(4-methylphenyl)methyl]piperidine
CID 7048103
2-methyl-2-[4-(piperidin-2-ylmethyl)phenyl]propan-1-ol
CID 117118109
2-[(4-cyclopropylphenyl)methyl]piperidine
CID 117307185
1-(4-fluorophenyl)-2-piperidin-2-ylethanol
CID 79559666
2-[(4-propan-2-ylsulfanylphenyl)methyl]piperidine
CID 82499085
(1S)-1-phenyl-2-[(2S)-piperidin-2-yl]ethanol
CID 10856632
1-(4-ethylphenyl)-2-pyrrolidin-2-ylethanol
CID 79559738
2-(azocan-2-yl)-1-(4-chlorophenyl)ethanol
CID 114239649

Frequently Asked Questions

What is the IUPAC name of 1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol?
The IUPAC name of 1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol (CID 117342823) is 1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol.
What is the SMILES notation for 1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol?
The canonical SMILES for 1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol is OCC(O)c1ccc(CC2CCCCN2)cc1.
What is the InChIKey of 1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol?
The InChIKey is BFSZCGGSNHQLBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO2/c16-10-14(17)12-6-4-11(5-7-12)9-13-3-1-2-8-15-13/h4-7,13-17H,1-3,8-10H2.
What are the key properties of 1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol?
1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol has a molecular weight of 235.33 g/mol, XLogP of 1.40, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(piperidin-2-ylmethyl)phenyl]ethane-1,2-diol is sourced from PubChem (CID 117342823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).