2-(2-chloroethyl)-1-(4-methylpentyl)piperidine

C13H26ClN — CID 83169323

IUPAC2-(2-chloroethyl)-1-(4-methylpentyl)piperidine
SMILESCC(C)CCCN1CCCCC1CCCl
InChIInChI=1S/C13H26ClN/c1-12(2)6-5-11-15-10-4-3-7-13(15)8-9-14/h12-13H,3-11H2,1-2H3
InChIKeyPPZOKVUPLYKNSB-UHFFFAOYSA-N
MW231.81 g/mol
LogP3.91
Rot. Bonds6

About 2-(2-chloroethyl)-1-(4-methylpentyl)piperidine

2-(2-chloroethyl)-1-(4-methylpentyl)piperidine (PubChem CID 83169323) has the molecular formula C13H26ClN and a molecular weight of 231.81 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(4-methylpentyl)piperidine.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(4-methylpentyl)piperidine
PubChem CID83169323
Molecular FormulaC13H26ClN
Molecular Weight231.81 g/mol
Exact Mass231.18
IUPAC Name2-(2-chloroethyl)-1-(4-methylpentyl)piperidine
SMILESCC(C)CCCN1CCCCC1CCCl
InChIInChI=1S/C13H26ClN/c1-12(2)6-5-11-15-10-4-3-7-13(15)8-9-14/h12-13H,3-11H2,1-2H3
InChIKeyPPZOKVUPLYKNSB-UHFFFAOYSA-N
XLogP3.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.81
LogP ≤ 53.91
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

3-[1-(4-methylpentyl)pyrrolidin-2-yl]propan-1-ol
CID 83161632
1,2-bis(2-chloroethyl)piperidine;hydrochloride
CID 57362051
N-methyl-6-(2-propylpiperidin-1-yl)hexan-3-amine
CID 106800080
2-methyl-1-(5-methylhexyl)piperidine
CID 142939607
2-(3-bromopropyl)-1-(3-methylbutyl)pyrrolidine
CID 80691753
3-[2-(3-methylbutyl)piperidin-1-yl]propanoic acid
CID 119994332
N-[2-(2-ethylpiperidin-1-yl)ethyl]-4-methylpentan-1-amine
CID 62575588
1-pentyl-2-propylpiperidine
CID 54429991
1-(4-methylpentyl)-2-propan-2-ylpyrrolidine
CID 163278091
[1-(3-chloropropyl)piperidin-2-yl]methanol
CID 61407786
5-(2-ethylpiperidin-1-yl)-2-methylpentan-1-amine
CID 82016951
4-methyl-N-[2-(1-methylpiperidin-2-yl)ethyl]pentan-1-amine
CID 62414508

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(4-methylpentyl)piperidine?
The IUPAC name of 2-(2-chloroethyl)-1-(4-methylpentyl)piperidine (CID 83169323) is 2-(2-chloroethyl)-1-(4-methylpentyl)piperidine.
What is the SMILES notation for 2-(2-chloroethyl)-1-(4-methylpentyl)piperidine?
The canonical SMILES for 2-(2-chloroethyl)-1-(4-methylpentyl)piperidine is CC(C)CCCN1CCCCC1CCCl.
What is the InChIKey of 2-(2-chloroethyl)-1-(4-methylpentyl)piperidine?
The InChIKey is PPZOKVUPLYKNSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26ClN/c1-12(2)6-5-11-15-10-4-3-7-13(15)8-9-14/h12-13H,3-11H2,1-2H3.
What are the key properties of 2-(2-chloroethyl)-1-(4-methylpentyl)piperidine?
2-(2-chloroethyl)-1-(4-methylpentyl)piperidine has a molecular weight of 231.81 g/mol, XLogP of 3.91, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(4-methylpentyl)piperidine is sourced from PubChem (CID 83169323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).