1-(2-chloro-2-naphthalen-2-ylethyl)piperidine

C17H20ClN — CID 82214628

IUPAC1-(2-chloro-2-naphthalen-2-ylethyl)piperidine
SMILESClC(CN1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H20ClN/c18-17(13-19-10-4-1-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17H,1,4-5,10-11,13H2
InChIKeyWWZHCZXFSHLWSZ-UHFFFAOYSA-N
MW273.81 g/mol
LogP4.61
Rot. Bonds3

About 1-(2-chloro-2-naphthalen-2-ylethyl)piperidine

1-(2-chloro-2-naphthalen-2-ylethyl)piperidine (PubChem CID 82214628) has the molecular formula C17H20ClN and a molecular weight of 273.81 g/mol. Its IUPAC name is 1-(2-chloro-2-naphthalen-2-ylethyl)piperidine.

Molecular Properties

Compound Name1-(2-chloro-2-naphthalen-2-ylethyl)piperidine
PubChem CID82214628
Molecular FormulaC17H20ClN
Molecular Weight273.81 g/mol
Exact Mass273.13
IUPAC Name1-(2-chloro-2-naphthalen-2-ylethyl)piperidine
SMILESClC(CN1CCCCC1)c1ccc2ccccc2c1
InChIInChI=1S/C17H20ClN/c18-17(13-19-10-4-1-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17H,1,4-5,10-11,13H2
InChIKeyWWZHCZXFSHLWSZ-UHFFFAOYSA-N
XLogP4.61
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.81
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-chloro-2-naphthalen-2-ylethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(azocan-1-yl)-1-naphthalen-2-ylethanamine
CID 43097660
1-[2-naphthalen-2-yl-2-(1-nitrosocyclohexyl)ethyl]pyrrolidine
CID 89258833
4-[2-(azepan-1-yl)-1-chloroethyl]-N,N-dimethylaniline
CID 82215457
4-(1-chloro-2-piperidin-1-ylethyl)-N,N-dimethylaniline
CID 82215482
1-naphthalen-2-yl-N-(2-piperidin-1-ylethyl)ethanamine
CID 60694800
1-(2-chloro-2-naphthalen-2-ylethyl)imidazole
CID 12698973
1-[2-(4-tert-butylphenyl)-2-chloroethyl]pyrrolidine
CID 82214702
2-[1-chloro-2-(2-chlorophenyl)ethyl]naphthalene
CID 63520023
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
1-[2-chloro-2-(4-methyl-3-nitrophenyl)ethyl]pyrrolidine
CID 82215735
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
1-naphthalen-2-yl-2-(thian-1-ium-1-yl)ethanol
CID 149143040

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-2-naphthalen-2-ylethyl)piperidine?
The IUPAC name of 1-(2-chloro-2-naphthalen-2-ylethyl)piperidine (CID 82214628) is 1-(2-chloro-2-naphthalen-2-ylethyl)piperidine.
What is the SMILES notation for 1-(2-chloro-2-naphthalen-2-ylethyl)piperidine?
The canonical SMILES for 1-(2-chloro-2-naphthalen-2-ylethyl)piperidine is ClC(CN1CCCCC1)c1ccc2ccccc2c1.
What is the InChIKey of 1-(2-chloro-2-naphthalen-2-ylethyl)piperidine?
The InChIKey is WWZHCZXFSHLWSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN/c18-17(13-19-10-4-1-5-11-19)16-9-8-14-6-2-3-7-15(14)12-16/h2-3,6-9,12,17H,1,4-5,10-11,13H2.
What are the key properties of 1-(2-chloro-2-naphthalen-2-ylethyl)piperidine?
1-(2-chloro-2-naphthalen-2-ylethyl)piperidine has a molecular weight of 273.81 g/mol, XLogP of 4.61, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-2-naphthalen-2-ylethyl)piperidine is sourced from PubChem (CID 82214628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).