5-pentyl-4-piperidin-2-ylbenzene-1,3-diol

C16H25NO2 — CID 162788353

IUPAC5-pentyl-4-piperidin-2-ylbenzene-1,3-diol
SMILESCCCCCc1cc(O)cc(O)c1C1CCCCN1
InChIInChI=1S/C16H25NO2/c1-2-3-4-7-12-10-13(18)11-15(19)16(12)14-8-5-6-9-17-14/h10-11,14,17-19H,2-9H2,1H3
InChIKeyKQXIINHGEFVRLD-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.65
Rot. Bonds5

About 5-pentyl-4-piperidin-2-ylbenzene-1,3-diol

5-pentyl-4-piperidin-2-ylbenzene-1,3-diol (PubChem CID 162788353) has the molecular formula C16H25NO2 and a molecular weight of 263.38 g/mol. Its IUPAC name is 5-pentyl-4-piperidin-2-ylbenzene-1,3-diol.

Molecular Properties

Compound Name5-pentyl-4-piperidin-2-ylbenzene-1,3-diol
PubChem CID162788353
Molecular FormulaC16H25NO2
Molecular Weight263.38 g/mol
Exact Mass263.19
IUPAC Name5-pentyl-4-piperidin-2-ylbenzene-1,3-diol
SMILESCCCCCc1cc(O)cc(O)c1C1CCCCN1
InChIInChI=1S/C16H25NO2/c1-2-3-4-7-12-10-13(18)11-15(19)16(12)14-8-5-6-9-17-14/h10-11,14,17-19H,2-9H2,1H3
InChIKeyKQXIINHGEFVRLD-UHFFFAOYSA-N
XLogP3.65
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-pentyl-4-thiomorpholin-3-ylbenzene-1,3-diol
CID 162788352
4-[(1S)-3-methylcyclohex-2-en-1-yl]-5-pentylbenzene-1,3-diol
CID 153373534
3-bromo-5-methyl-2-piperidin-2-ylphenol
CID 84808995
2-[(2R)-piperidin-2-yl]benzene-1,3-diol
CID 130679710
2,6-di(tridecyl)benzene-1,4-diol
CID 19033571
4-tricosylbenzene-1,3-diol
CID 101133990
3-chloro-5-methyl-2-pyrrolidin-2-ylphenol
CID 84782063
4-[(2R)-piperidin-2-yl]benzene-1,3-diol;hydrochloride
CID 171195341
3-(2,4-dihydroxy-6-pentylphenyl)morpholine-4-carbaldehyde
CID 162788357
4-chloro-2,6-dimethyl-3-piperidin-2-ylphenol
CID 117352288
3,5-dichloro-2-[(2R)-pyrrolidin-2-yl]phenol;hydrochloride
CID 171196064
3-chloro-4,5-dimethoxy-2-piperidin-2-ylphenol
CID 117432185

Frequently Asked Questions

What is the IUPAC name of 5-pentyl-4-piperidin-2-ylbenzene-1,3-diol?
The IUPAC name of 5-pentyl-4-piperidin-2-ylbenzene-1,3-diol (CID 162788353) is 5-pentyl-4-piperidin-2-ylbenzene-1,3-diol.
What is the SMILES notation for 5-pentyl-4-piperidin-2-ylbenzene-1,3-diol?
The canonical SMILES for 5-pentyl-4-piperidin-2-ylbenzene-1,3-diol is CCCCCc1cc(O)cc(O)c1C1CCCCN1.
What is the InChIKey of 5-pentyl-4-piperidin-2-ylbenzene-1,3-diol?
The InChIKey is KQXIINHGEFVRLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO2/c1-2-3-4-7-12-10-13(18)11-15(19)16(12)14-8-5-6-9-17-14/h10-11,14,17-19H,2-9H2,1H3.
What are the key properties of 5-pentyl-4-piperidin-2-ylbenzene-1,3-diol?
5-pentyl-4-piperidin-2-ylbenzene-1,3-diol has a molecular weight of 263.38 g/mol, XLogP of 3.65, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pentyl-4-piperidin-2-ylbenzene-1,3-diol is sourced from PubChem (CID 162788353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).