4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol

C15H19NO2 — CID 3231134

IUPAC4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol
SMILESC#CCN1CCC(c2ccc(OC)cc2)C(O)C1
InChIInChI=1S/C15H19NO2/c1-3-9-16-10-8-14(15(17)11-16)12-4-6-13(18-2)7-5-12/h1,4-7,14-15,17H,8-11H2,2H3
InChIKeySGWIOGDVPREPDD-UHFFFAOYSA-N
MW245.32 g/mol
LogP1.48
Rot. Bonds3

About 4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol

4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol (PubChem CID 3231134) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol
PubChem CID3231134
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol
SMILESC#CCN1CCC(c2ccc(OC)cc2)C(O)C1
InChIInChI=1S/C15H19NO2/c1-3-9-16-10-8-14(15(17)11-16)12-4-6-13(18-2)7-5-12/h1,4-7,14-15,17H,8-11H2,2H3
InChIKeySGWIOGDVPREPDD-UHFFFAOYSA-N
XLogP1.48
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

(3R,4R)-1-benzyl-4-(4-methoxyphenyl)piperidin-3-ol
CID 118207526
4-(4-methoxyphenyl)-1-(pyridin-3-ylmethyl)piperidin-3-ol
CID 649162
(3R,4R)-1-[(3R)-1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]-4-(4-methoxyphenyl)piperidin-3-ol
CID 174931072
methyl 1-(cyanomethyl)-3-(4-methoxyphenyl)piperidine-4-carboxylate
CID 84757857
N-[1-(4-methoxyphenyl)propyl]-1-prop-2-ynylpiperidin-4-amine
CID 43785961
1-benzyl-4-(3-hydroxyphenyl)piperidin-3-ol;1-benzyl-4-(3-methoxyphenyl)piperidin-3-ol
CID 161060195
tert-butyl (3S,4S)-4-(4-ethoxyphenyl)-3-hydroxypiperidine-1-carboxylate
CID 95566636
1-[[(3R)-4-(4-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidin-4-ol
CID 143833939
methyl 3-(4-methoxyphenyl)-1-prop-2-ynylaziridine-2-carboxylate
CID 102297117
[4-[(3S,4S)-1-ethyl-3-hydroxypiperidin-4-yl]phenyl]boronic acid
CID 170671016
(3R,4R)-4-(3-methoxyphenyl)-1-[(3-methylthiophen-2-yl)methyl]piperidin-3-ol
CID 133115423
[(3R,4R)-4-(4-methoxyphenyl)-1-methylpyrrolidin-3-yl]methanol
CID 99987286

Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol?
The IUPAC name of 4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol (CID 3231134) is 4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol.
What is the SMILES notation for 4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol?
The canonical SMILES for 4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol is C#CCN1CCC(c2ccc(OC)cc2)C(O)C1.
What is the InChIKey of 4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol?
The InChIKey is SGWIOGDVPREPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-3-9-16-10-8-14(15(17)11-16)12-4-6-13(18-2)7-5-12/h1,4-7,14-15,17H,8-11H2,2H3.
What are the key properties of 4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol?
4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol has a molecular weight of 245.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-1-prop-2-ynylpiperidin-3-ol is sourced from PubChem (CID 3231134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).