4-chloro-3-methyl-1-pentylpiperidine

C11H22ClN — CID 114682273

IUPAC4-chloro-3-methyl-1-pentylpiperidine
SMILESCCCCCN1CCC(Cl)C(C)C1
InChIInChI=1S/C11H22ClN/c1-3-4-5-7-13-8-6-11(12)10(2)9-13/h10-11H,3-9H2,1-2H3
InChIKeyQRBNDGHBRJXHDD-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.13
Rot. Bonds4

About 4-chloro-3-methyl-1-pentylpiperidine

4-chloro-3-methyl-1-pentylpiperidine (PubChem CID 114682273) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-pentylpiperidine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-pentylpiperidine
PubChem CID114682273
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name4-chloro-3-methyl-1-pentylpiperidine
SMILESCCCCCN1CCC(Cl)C(C)C1
InChIInChI=1S/C11H22ClN/c1-3-4-5-7-13-8-6-11(12)10(2)9-13/h10-11H,3-9H2,1-2H3
InChIKeyQRBNDGHBRJXHDD-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-pentylpiperidine?
The IUPAC name of 4-chloro-3-methyl-1-pentylpiperidine (CID 114682273) is 4-chloro-3-methyl-1-pentylpiperidine.
What is the SMILES notation for 4-chloro-3-methyl-1-pentylpiperidine?
The canonical SMILES for 4-chloro-3-methyl-1-pentylpiperidine is CCCCCN1CCC(Cl)C(C)C1.
What is the InChIKey of 4-chloro-3-methyl-1-pentylpiperidine?
The InChIKey is QRBNDGHBRJXHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-3-4-5-7-13-8-6-11(12)10(2)9-13/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-chloro-3-methyl-1-pentylpiperidine?
4-chloro-3-methyl-1-pentylpiperidine has a molecular weight of 203.76 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-methyl-1-pentylpiperidine is sourced from PubChem (CID 114682273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).