3-[(2,3-dichlorophenyl)methyl]piperidine

C12H15Cl2N — CID 91178565

IUPAC3-[(2,3-dichlorophenyl)methyl]piperidine
SMILESClc1cccc(CC2CCCNC2)c1Cl
InChIInChI=1S/C12H15Cl2N/c13-11-5-1-4-10(12(11)14)7-9-3-2-6-15-8-9/h1,4-5,9,15H,2-3,6-8H2
InChIKeyOAEBFICVQGJTQS-UHFFFAOYSA-N
MW244.16 g/mol
LogP3.54
Rot. Bonds2

About 3-[(2,3-dichlorophenyl)methyl]piperidine

3-[(2,3-dichlorophenyl)methyl]piperidine (PubChem CID 91178565) has the molecular formula C12H15Cl2N and a molecular weight of 244.16 g/mol. Its IUPAC name is 3-[(2,3-dichlorophenyl)methyl]piperidine.

Molecular Properties

Compound Name3-[(2,3-dichlorophenyl)methyl]piperidine
PubChem CID91178565
Molecular FormulaC12H15Cl2N
Molecular Weight244.16 g/mol
Exact Mass243.06
IUPAC Name3-[(2,3-dichlorophenyl)methyl]piperidine
SMILESClc1cccc(CC2CCCNC2)c1Cl
InChIInChI=1S/C12H15Cl2N/c13-11-5-1-4-10(12(11)14)7-9-3-2-6-15-8-9/h1,4-5,9,15H,2-3,6-8H2
InChIKeyOAEBFICVQGJTQS-UHFFFAOYSA-N
XLogP3.54
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.16
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
3-[(2,3-dichlorophenyl)methoxy]piperidine
CID 107306986
3-[(2,3-dimethylphenyl)methyl]piperidine
CID 62548706
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
N,N-dimethyl-1-[2-(piperidin-3-ylmethyl)phenyl]methanamine
CID 84795677
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
2-(piperidin-3-ylmethyl)benzoic acid
CID 84786861
4-(piperidin-3-ylmethyl)-1H-indole
CID 84783545
2-fluoro-N,N-dimethyl-6-(piperidin-3-ylmethyl)aniline
CID 117118019
(3R)-3-[(2,6-dichlorophenyl)sulfanylmethyl]piperidine
CID 96879943
5-(piperidin-3-ylmethyl)quinoline
CID 73439136
2-[[(3S)-piperidin-3-yl]methyl]benzamide
CID 154457528

Frequently Asked Questions

What is the IUPAC name of 3-[(2,3-dichlorophenyl)methyl]piperidine?
The IUPAC name of 3-[(2,3-dichlorophenyl)methyl]piperidine (CID 91178565) is 3-[(2,3-dichlorophenyl)methyl]piperidine.
What is the SMILES notation for 3-[(2,3-dichlorophenyl)methyl]piperidine?
The canonical SMILES for 3-[(2,3-dichlorophenyl)methyl]piperidine is Clc1cccc(CC2CCCNC2)c1Cl.
What is the InChIKey of 3-[(2,3-dichlorophenyl)methyl]piperidine?
The InChIKey is OAEBFICVQGJTQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N/c13-11-5-1-4-10(12(11)14)7-9-3-2-6-15-8-9/h1,4-5,9,15H,2-3,6-8H2.
What are the key properties of 3-[(2,3-dichlorophenyl)methyl]piperidine?
3-[(2,3-dichlorophenyl)methyl]piperidine has a molecular weight of 244.16 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,3-dichlorophenyl)methyl]piperidine is sourced from PubChem (CID 91178565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).