1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol

C20H26N2O2 — CID 113341056

IUPAC1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol
SMILESCCCOc1cncc(C2(O)CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C20H26N2O2/c1-2-11-24-19-12-18(13-21-14-19)20(23)9-6-10-22(16-20)15-17-7-4-3-5-8-17/h3-5,7-8,12-14,23H,2,6,9-11,15-16H2,1H3
InChIKeySVWUFCDIPWIKPI-UHFFFAOYSA-N
MW326.44 g/mol
LogP3.35
Rot. Bonds6

About 1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol

1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol (PubChem CID 113341056) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is 1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol.

Molecular Properties

Compound Name1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol
PubChem CID113341056
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC Name1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol
SMILESCCCOc1cncc(C2(O)CCCN(Cc3ccccc3)C2)c1
InChIInChI=1S/C20H26N2O2/c1-2-11-24-19-12-18(13-21-14-19)20(23)9-6-10-22(16-20)15-17-7-4-3-5-8-17/h3-5,7-8,12-14,23H,2,6,9-11,15-16H2,1H3
InChIKeySVWUFCDIPWIKPI-UHFFFAOYSA-N
XLogP3.35
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R)-1-benzyl-3-(4-methoxyphenyl)piperidin-3-ol
CID 92976626
1-benzyl-3-pyrazin-2-ylpiperidin-3-ol
CID 82013047
1-benzyl-3-(4-naphthalen-2-ylphenyl)piperidin-3-ol
CID 19424718
1-benzyl-3-(4-fluorophenyl)piperidin-3-ol;hydrochloride
CID 139758416
1-benzyl-3-(4-bromo-1-methylpyrazol-5-yl)piperidin-3-ol
CID 114637897
1-benzyl-3-methylpiperidin-3-ol
CID 15283107
1-[(4-fluorophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11631684
1-[(4-bromophenyl)methyl]-3-(3-methoxyphenyl)piperidin-3-ol;hydrochloride
CID 11711307
1-benzyl-3-(1,2-thiazol-3-yl)piperidin-3-ol
CID 131084399
1-benzyl-3-(2,3-dimethylphenyl)piperidin-3-ol;hydrochloride
CID 19095553
ethyl 3-(2-phenoxyethyl)-1-(pyridin-3-ylmethyl)piperidine-3-carboxylate
CID 45229594
1-benzyl-3-[2-(2,2-dimethoxyethyl)phenyl]piperidin-3-ol
CID 44514801

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol?
The IUPAC name of 1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol (CID 113341056) is 1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol.
What is the SMILES notation for 1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol?
The canonical SMILES for 1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol is CCCOc1cncc(C2(O)CCCN(Cc3ccccc3)C2)c1.
What is the InChIKey of 1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol?
The InChIKey is SVWUFCDIPWIKPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-2-11-24-19-12-18(13-21-14-19)20(23)9-6-10-22(16-20)15-17-7-4-3-5-8-17/h3-5,7-8,12-14,23H,2,6,9-11,15-16H2,1H3.
What are the key properties of 1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol?
1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol has a molecular weight of 326.44 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3-(5-propoxy-3-pyridinyl)piperidin-3-ol is sourced from PubChem (CID 113341056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).