4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol

C16H21NO — CID 18621544

IUPAC4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol
SMILESOCC#CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO/c18-13-5-4-10-17-11-8-16(9-12-17)14-15-6-2-1-3-7-15/h1-3,6-7,16,18H,8-14H2
InChIKeyHCVXKOANVXASNS-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.94
Rot. Bonds3

About 4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol

4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol (PubChem CID 18621544) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol
PubChem CID18621544
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol
SMILESOCC#CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H21NO/c18-13-5-4-10-17-11-8-16(9-12-17)14-15-6-2-1-3-7-15/h1-3,6-7,16,18H,8-14H2
InChIKeyHCVXKOANVXASNS-UHFFFAOYSA-N
XLogP1.94
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.94
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

4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine
CID 15329907
3-[4-(4-benzylpiperidin-1-yl)but-2-ynyl]aniline
CID 70079958
4-benzyl-1-(cyclopentylmethyl)piperidine
CID 82089376
5-[3-(4-benzylpiperidin-1-yl)prop-1-ynyl]-2H-benzotriazole
CID 10640185
1-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 39350302
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
3-(4-benzylpiperidin-1-yl)-2-methylpropanoic acid
CID 43538761
dilithium bis(2-(4-benzylpiperidin-1-yl)acetate)
CID 162364859
methyl 3-(4-benzylpiperidin-1-yl)propanoate
CID 43091070
4-(4-benzylpiperidin-1-yl)-3,3-dimethylbutan-2-ol
CID 66455203
4-benzyl-1-methoxypiperidine
CID 146666995
4-benzyl-1-(3-methylbutyl)piperidine
CID 59512021

Frequently Asked Questions

What is the IUPAC name of 4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol (CID 18621544) is 4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol is OCC#CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol?
The InChIKey is HCVXKOANVXASNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c18-13-5-4-10-17-11-8-16(9-12-17)14-15-6-2-1-3-7-15/h1-3,6-7,16,18H,8-14H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol?
4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol has a molecular weight of 243.35 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-benzylpiperidin-1-yl)but-2-yn-1-ol is sourced from PubChem (CID 18621544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).