2-(2-chloroethyl)-1-(2-phenylethyl)piperidine

C15H22ClN — CID 63387052

IUPAC2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
SMILESClCCC1CCCCN1CCc1ccccc1
InChIInChI=1S/C15H22ClN/c16-11-9-15-8-4-5-12-17(15)13-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyRGIMMNKMAMDXTB-UHFFFAOYSA-N
MW251.80 g/mol
LogP3.71
Rot. Bonds5

About 2-(2-chloroethyl)-1-(2-phenylethyl)piperidine

2-(2-chloroethyl)-1-(2-phenylethyl)piperidine (PubChem CID 63387052) has the molecular formula C15H22ClN and a molecular weight of 251.80 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2-phenylethyl)piperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
PubChem CID63387052
Molecular FormulaC15H22ClN
Molecular Weight251.80 g/mol
Exact Mass251.14
IUPAC Name2-(2-chloroethyl)-1-(2-phenylethyl)piperidine
SMILESClCCC1CCCCN1CCc1ccccc1
InChIInChI=1S/C15H22ClN/c16-11-9-15-8-4-5-12-17(15)13-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2
InChIKeyRGIMMNKMAMDXTB-UHFFFAOYSA-N
XLogP3.71
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.80
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-2-(2-chloroethyl)piperidine
CID 18473722
[(2R)-1-(2-phenylethyl)piperidin-2-yl]methanol
CID 26457952
1-[1-(2-phenylethyl)azepan-2-yl]propan-2-ol
CID 114338750
[1-(2-phenylethyl)pyrrolidin-2-yl]methanol
CID 13404761
3-[2-(3-phenylpropyl)piperidin-1-yl]propan-1-ol
CID 21153822
1,2-bis(2-chloroethyl)piperidine;hydrochloride
CID 57362051
2-[2-(3,4-dimethoxyphenyl)ethyl]-1-(2-phenylethyl)piperidine;hydrobromide
CID 54603548
(2S)-1-(2-methylsulfonylethyl)-2-(2-phenylethyl)piperidine
CID 97101388
(2S)-2-benzyl-1-propylpiperidine
CID 97355928
(2S)-1-benzyl-2-propylpiperidine
CID 71407726
1-[(3-bromophenyl)methyl]-2-(2-chloroethyl)piperidine
CID 63386960
2-[1-[2-(4-aminophenyl)ethyl]piperidin-2-yl]ethanol
CID 43519577

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2-phenylethyl)piperidine?
The IUPAC name of 2-(2-chloroethyl)-1-(2-phenylethyl)piperidine (CID 63387052) is 2-(2-chloroethyl)-1-(2-phenylethyl)piperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2-phenylethyl)piperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-(2-phenylethyl)piperidine is ClCCC1CCCCN1CCc1ccccc1.
What is the InChIKey of 2-(2-chloroethyl)-1-(2-phenylethyl)piperidine?
The InChIKey is RGIMMNKMAMDXTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN/c16-11-9-15-8-4-5-12-17(15)13-10-14-6-2-1-3-7-14/h1-3,6-7,15H,4-5,8-13H2.
What are the key properties of 2-(2-chloroethyl)-1-(2-phenylethyl)piperidine?
2-(2-chloroethyl)-1-(2-phenylethyl)piperidine has a molecular weight of 251.80 g/mol, XLogP of 3.71, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2-phenylethyl)piperidine is sourced from PubChem (CID 63387052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).