1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine

C19H27N — CID 101406137

IUPAC1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine
SMILESCCCC(C)C(C#Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C19H27N/c1-3-10-17(2)19(20-15-8-5-9-16-20)14-13-18-11-6-4-7-12-18/h4,6-7,11-12,17,19H,3,5,8-10,15-16H2,1-2H3
InChIKeyLVCYZJBTHVNTAM-UHFFFAOYSA-N
MW269.43 g/mol
LogP4.33
Rot. Bonds4

About 1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine

1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine (PubChem CID 101406137) has the molecular formula C19H27N and a molecular weight of 269.43 g/mol. Its IUPAC name is 1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine.

Molecular Properties

Compound Name1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine
PubChem CID101406137
Molecular FormulaC19H27N
Molecular Weight269.43 g/mol
Exact Mass269.21
IUPAC Name1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine
SMILESCCCC(C)C(C#Cc1ccccc1)N1CCCCC1
InChIInChI=1S/C19H27N/c1-3-10-17(2)19(20-15-8-5-9-16-20)14-13-18-11-6-4-7-12-18/h4,6-7,11-12,17,19H,3,5,8-10,15-16H2,1-2H3
InChIKeyLVCYZJBTHVNTAM-UHFFFAOYSA-N
XLogP4.33
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.43
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine?
The IUPAC name of 1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine (CID 101406137) is 1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine.
What is the SMILES notation for 1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine?
The canonical SMILES for 1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine is CCCC(C)C(C#Cc1ccccc1)N1CCCCC1.
What is the InChIKey of 1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine?
The InChIKey is LVCYZJBTHVNTAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N/c1-3-10-17(2)19(20-15-8-5-9-16-20)14-13-18-11-6-4-7-12-18/h4,6-7,11-12,17,19H,3,5,8-10,15-16H2,1-2H3.
What are the key properties of 1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine?
1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine has a molecular weight of 269.43 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1-phenylhept-1-yn-3-yl)piperidine is sourced from PubChem (CID 101406137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).