4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol

C12H17NO3 — CID 68535089

IUPAC4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol
SMILESOCC1CCCCN1c1ccc(O)c(O)c1
InChIInChI=1S/C12H17NO3/c14-8-10-3-1-2-6-13(10)9-4-5-11(15)12(16)7-9/h4-5,7,10,14-16H,1-3,6,8H2
InChIKeyCCQAZEOGHKRQKW-UHFFFAOYSA-N
MW223.27 g/mol
LogP1.45
Rot. Bonds2

About 4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol

4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol (PubChem CID 68535089) has the molecular formula C12H17NO3 and a molecular weight of 223.27 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol
PubChem CID68535089
Molecular FormulaC12H17NO3
Molecular Weight223.27 g/mol
Exact Mass223.12
IUPAC Name4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol
SMILESOCC1CCCCN1c1ccc(O)c(O)c1
InChIInChI=1S/C12H17NO3/c14-8-10-3-1-2-6-13(10)9-4-5-11(15)12(16)7-9/h4-5,7,10,14-16H,1-3,6,8H2
InChIKeyCCQAZEOGHKRQKW-UHFFFAOYSA-N
XLogP1.45
TPSA63.93 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.27
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

[1-(3,4-dimethoxyphenyl)piperidin-2-yl]methanol
CID 117028012
[1-(2-chloro-4-pyridinyl)azepan-2-yl]methanol
CID 102824406
2-amino-5-[2-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 68541631
3-[2-(hydroxymethyl)piperidin-1-yl]benzonitrile
CID 12018198
[1-[4-[(chloroamino)methyl]phenyl]piperidin-2-yl]methanol
CID 88585225
5-(2-ethylpiperidin-1-yl)-2-(1-hydroxyethyl)phenol
CID 79603663
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]piperidin-2-yl]methanol
CID 62134031
[1-(3-amino-4-nitrophenyl)azepan-2-yl]methanol
CID 106751882
2-bromo-N'-hydroxy-4-[2-(hydroxymethyl)azepan-1-yl]benzenecarboximidamide
CID 107278824
[(2R)-1-(3-fluorophenyl)pyrrolidin-2-yl]methanol
CID 173099689
(3,4-dihydroxyphenyl)-[2-(hydroxymethyl)piperidin-1-yl]methanone
CID 103956460
[1-[3-methyl-4-[(propan-2-ylamino)methyl]phenyl]azepan-2-yl]methanol
CID 116635458

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol?
The IUPAC name of 4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol (CID 68535089) is 4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol.
What is the SMILES notation for 4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol?
The canonical SMILES for 4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol is OCC1CCCCN1c1ccc(O)c(O)c1.
What is the InChIKey of 4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol?
The InChIKey is CCQAZEOGHKRQKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO3/c14-8-10-3-1-2-6-13(10)9-4-5-11(15)12(16)7-9/h4-5,7,10,14-16H,1-3,6,8H2.
What are the key properties of 4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol?
4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol has a molecular weight of 223.27 g/mol, XLogP of 1.45, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)piperidin-1-yl]benzene-1,2-diol is sourced from PubChem (CID 68535089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).