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

C16H22N2 — CID 15329907

IUPAC4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine
SMILESNCC#CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2/c17-10-4-5-11-18-12-8-16(9-13-18)14-15-6-2-1-3-7-15/h1-3,6-7,16H,8-14,17H2
InChIKeyONYVYQXIIIMKGF-UHFFFAOYSA-N
MW242.37 g/mol
LogP1.90
Rot. Bonds3

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

4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine (PubChem CID 15329907) has the molecular formula C16H22N2 and a molecular weight of 242.37 g/mol. Its IUPAC name is 4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine.

Molecular Properties

Compound Name4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine
PubChem CID15329907
Molecular FormulaC16H22N2
Molecular Weight242.37 g/mol
Exact Mass242.18
IUPAC Name4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine
SMILESNCC#CCN1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2/c17-10-4-5-11-18-12-8-16(9-13-18)14-15-6-2-1-3-7-15/h1-3,6-7,16H,8-14,17H2
InChIKeyONYVYQXIIIMKGF-UHFFFAOYSA-N
XLogP1.90
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.37
LogP ≤ 51.90
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-ol
CID 18621544
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
2-(4-benzylpiperidin-1-yl)acetamide
CID 6465422
3-[(4-benzylpiperidin-1-yl)methyl]cyclopenta-1,3-dien-1-amine
CID 123498879
[3-[4-(4-benzylpiperidin-1-yl)but-1-ynyl]phenyl]methanamine
CID 10759007
cis-(1R,2S)-2-[(4-benzylpiperidin-1-yl)methyl]cyclohexan-1-amine
CID 131851979
(2S)-1-(4-benzylpiperidin-1-yl)-3-phenylpropan-2-amine
CID 22689597
1-amino-3-(4-benzylpiperidin-1-yl)-2-methylpropan-2-ol
CID 64818557
4-benzyl-1-(2-methylsulfanylethyl)piperidine
CID 112796308
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-amine?
The IUPAC name of 4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine (CID 15329907) is 4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine.
What is the SMILES notation for 4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine?
The canonical SMILES for 4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine is NCC#CCN1CCC(Cc2ccccc2)CC1.
What is the InChIKey of 4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine?
The InChIKey is ONYVYQXIIIMKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2/c17-10-4-5-11-18-12-8-16(9-13-18)14-15-6-2-1-3-7-15/h1-3,6-7,16H,8-14,17H2.
What are the key properties of 4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine?
4-(4-benzylpiperidin-1-yl)but-2-yn-1-amine has a molecular weight of 242.37 g/mol, XLogP of 1.90, 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-amine is sourced from PubChem (CID 15329907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).