4-chloro-1-(4-methoxybutyl)-3-methylpiperidine

C11H22ClNO — CID 114682188

IUPAC4-chloro-1-(4-methoxybutyl)-3-methylpiperidine
SMILESCOCCCCN1CCC(Cl)C(C)C1
InChIInChI=1S/C11H22ClNO/c1-10-9-13(7-5-11(10)12)6-3-4-8-14-2/h10-11H,3-9H2,1-2H3
InChIKeyJNCNPQNSUPTDGR-UHFFFAOYSA-N
MW219.76 g/mol
LogP2.36
Rot. Bonds5

About 4-chloro-1-(4-methoxybutyl)-3-methylpiperidine

4-chloro-1-(4-methoxybutyl)-3-methylpiperidine (PubChem CID 114682188) has the molecular formula C11H22ClNO and a molecular weight of 219.76 g/mol. Its IUPAC name is 4-chloro-1-(4-methoxybutyl)-3-methylpiperidine.

Molecular Properties

Compound Name4-chloro-1-(4-methoxybutyl)-3-methylpiperidine
PubChem CID114682188
Molecular FormulaC11H22ClNO
Molecular Weight219.76 g/mol
Exact Mass219.14
IUPAC Name4-chloro-1-(4-methoxybutyl)-3-methylpiperidine
SMILESCOCCCCN1CCC(Cl)C(C)C1
InChIInChI=1S/C11H22ClNO/c1-10-9-13(7-5-11(10)12)6-3-4-8-14-2/h10-11H,3-9H2,1-2H3
InChIKeyJNCNPQNSUPTDGR-UHFFFAOYSA-N
XLogP2.36
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.76
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-1-(2-methoxyethyl)-3-methylpiperidine
CID 114682183
4-chloro-3-methyl-1-pentylpiperidine
CID 114682273
3-chloro-1-[2-(3-methoxypropoxy)ethyl]-4-methylpiperidine
CID 103184094
1-(5-methoxypentyl)-3-methylpiperidin-4-amine
CID 103815527
(4R)-1-(4-methoxybutyl)-3-[(4S)-1-(5-methoxypentyl)-4-methylpiperidin-3-yl]-4-methylpiperidine
CID 146332106
4-chloro-3-methyl-1-[2-(2-methylpropoxy)ethyl]piperidine
CID 106457882
4-bromo-1-[3-(2-methoxyethoxy)propyl]-3-methylpiperidine
CID 103413199
1-[2-(3-methoxypropoxy)ethyl]-3-methylpiperidin-4-ol
CID 103182854
2-[1-(4-methoxybutyl)pyrrolidin-3-yl]ethanamine
CID 114802487
1-[2-(3-methoxypropoxy)ethyl]-N,3-dimethylpiperidin-4-amine
CID 103177262
3-chloro-4-methyl-1-pentylpiperidine
CID 102960020
4-chloro-1-[3-(2-methoxyethoxy)propyl]piperidine
CID 103412995

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-(4-methoxybutyl)-3-methylpiperidine?
The IUPAC name of 4-chloro-1-(4-methoxybutyl)-3-methylpiperidine (CID 114682188) is 4-chloro-1-(4-methoxybutyl)-3-methylpiperidine.
What is the SMILES notation for 4-chloro-1-(4-methoxybutyl)-3-methylpiperidine?
The canonical SMILES for 4-chloro-1-(4-methoxybutyl)-3-methylpiperidine is COCCCCN1CCC(Cl)C(C)C1.
What is the InChIKey of 4-chloro-1-(4-methoxybutyl)-3-methylpiperidine?
The InChIKey is JNCNPQNSUPTDGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClNO/c1-10-9-13(7-5-11(10)12)6-3-4-8-14-2/h10-11H,3-9H2,1-2H3.
What are the key properties of 4-chloro-1-(4-methoxybutyl)-3-methylpiperidine?
4-chloro-1-(4-methoxybutyl)-3-methylpiperidine has a molecular weight of 219.76 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-(4-methoxybutyl)-3-methylpiperidine is sourced from PubChem (CID 114682188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).