4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol

C19H27NO — CID 83044306

IUPAC4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol
SMILESCCCC1CCCCN1Cc1ccccc1C#CCCO
InChIInChI=1S/C19H27NO/c1-2-9-19-13-5-7-14-20(19)16-18-12-4-3-10-17(18)11-6-8-15-21/h3-4,10,12,19,21H,2,5,7-9,13-16H2,1H3
InChIKeyJJVKYOVWQSHUNZ-UHFFFAOYSA-N
MW285.43 g/mol
LogP3.58
Rot. Bonds5

About 4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol

4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol (PubChem CID 83044306) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is 4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol.

Molecular Properties

Compound Name4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol
PubChem CID83044306
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol
SMILESCCCC1CCCCN1Cc1ccccc1C#CCCO
InChIInChI=1S/C19H27NO/c1-2-9-19-13-5-7-14-20(19)16-18-12-4-3-10-17(18)11-6-8-15-21/h3-4,10,12,19,21H,2,5,7-9,13-16H2,1H3
InChIKeyJJVKYOVWQSHUNZ-UHFFFAOYSA-N
XLogP3.58
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-[(2-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 83053433
2-bromo-6-[(2-propylpiperidin-1-yl)methyl]phenol
CID 83057106
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
3-[5-fluoro-2-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-amine
CID 83046101
3-[3-fluoro-4-[(2-propylpiperidin-1-yl)methyl]phenyl]prop-2-yn-1-ol
CID 83044307
2-fluoro-3-[[2-(2-hydroxyethyl)piperidin-1-yl]methyl]benzonitrile
CID 103886136
4-[[2-(4-hydroxybut-1-ynyl)phenyl]methyl]-3-methylpiperazin-2-one
CID 63608397
3-[(2-propylpiperidin-1-yl)methyl]pyridine-2-carboximidamide
CID 83055860
[(2R)-1-[(2-methylphenyl)methyl]piperidin-2-yl]methanol
CID 796363
2-[[2-[2-(2-oxopyrrolidin-1-yl)ethyl]piperidin-1-yl]methyl]benzonitrile
CID 56908889
4-[2-[[2-(hydroxymethyl)-5-methylmorpholin-4-yl]methyl]phenyl]but-3-yn-1-ol
CID 81208141
2-[1-[(3-chloro-2-fluorophenyl)methyl]piperidin-2-yl]ethanol
CID 113345056

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol?
The IUPAC name of 4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol (CID 83044306) is 4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol.
What is the SMILES notation for 4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol?
The canonical SMILES for 4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol is CCCC1CCCCN1Cc1ccccc1C#CCCO.
What is the InChIKey of 4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol?
The InChIKey is JJVKYOVWQSHUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO/c1-2-9-19-13-5-7-14-20(19)16-18-12-4-3-10-17(18)11-6-8-15-21/h3-4,10,12,19,21H,2,5,7-9,13-16H2,1H3.
What are the key properties of 4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol?
4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol has a molecular weight of 285.43 g/mol, XLogP of 3.58, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-propylpiperidin-1-yl)methyl]phenyl]but-3-yn-1-ol is sourced from PubChem (CID 83044306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).