2-chloro-5-(2-methylpropyl)piperidine

C9H18ClN — CID 167220629

IUPAC2-chloro-5-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCC(Cl)NC1
InChIInChI=1S/C9H18ClN/c1-7(2)5-8-3-4-9(10)11-6-8/h7-9,11H,3-6H2,1-2H3
InChIKeyYIPZBWCMIQEXOR-UHFFFAOYSA-N
MW175.70 g/mol
LogP2.60
Rot. Bonds2

About 2-chloro-5-(2-methylpropyl)piperidine

2-chloro-5-(2-methylpropyl)piperidine (PubChem CID 167220629) has the molecular formula C9H18ClN and a molecular weight of 175.70 g/mol. Its IUPAC name is 2-chloro-5-(2-methylpropyl)piperidine.

Molecular Properties

Compound Name2-chloro-5-(2-methylpropyl)piperidine
PubChem CID167220629
Molecular FormulaC9H18ClN
Molecular Weight175.70 g/mol
Exact Mass175.11
IUPAC Name2-chloro-5-(2-methylpropyl)piperidine
SMILESCC(C)CC1CCC(Cl)NC1
InChIInChI=1S/C9H18ClN/c1-7(2)5-8-3-4-9(10)11-6-8/h7-9,11H,3-6H2,1-2H3
InChIKeyYIPZBWCMIQEXOR-UHFFFAOYSA-N
XLogP2.60
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.70
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(2-methylpropyl)piperidine?
The IUPAC name of 2-chloro-5-(2-methylpropyl)piperidine (CID 167220629) is 2-chloro-5-(2-methylpropyl)piperidine.
What is the SMILES notation for 2-chloro-5-(2-methylpropyl)piperidine?
The canonical SMILES for 2-chloro-5-(2-methylpropyl)piperidine is CC(C)CC1CCC(Cl)NC1.
What is the InChIKey of 2-chloro-5-(2-methylpropyl)piperidine?
The InChIKey is YIPZBWCMIQEXOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18ClN/c1-7(2)5-8-3-4-9(10)11-6-8/h7-9,11H,3-6H2,1-2H3.
What are the key properties of 2-chloro-5-(2-methylpropyl)piperidine?
2-chloro-5-(2-methylpropyl)piperidine has a molecular weight of 175.70 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(2-methylpropyl)piperidine is sourced from PubChem (CID 167220629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).