4-chloro-3-methyl-1-pentan-3-ylpiperidine

C11H22ClN — CID 114682317

IUPAC4-chloro-3-methyl-1-pentan-3-ylpiperidine
SMILESCCC(CC)N1CCC(Cl)C(C)C1
InChIInChI=1S/C11H22ClN/c1-4-10(5-2)13-7-6-11(12)9(3)8-13/h9-11H,4-8H2,1-3H3
InChIKeyKKHAZUDEEPOBIO-UHFFFAOYSA-N
MW203.76 g/mol
LogP3.12
Rot. Bonds3

About 4-chloro-3-methyl-1-pentan-3-ylpiperidine

4-chloro-3-methyl-1-pentan-3-ylpiperidine (PubChem CID 114682317) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 4-chloro-3-methyl-1-pentan-3-ylpiperidine.

Molecular Properties

Compound Name4-chloro-3-methyl-1-pentan-3-ylpiperidine
PubChem CID114682317
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name4-chloro-3-methyl-1-pentan-3-ylpiperidine
SMILESCCC(CC)N1CCC(Cl)C(C)C1
InChIInChI=1S/C11H22ClN/c1-4-10(5-2)13-7-6-11(12)9(3)8-13/h9-11H,4-8H2,1-3H3
InChIKeyKKHAZUDEEPOBIO-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.76
LogP ≤ 53.12
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-chloro-4-methyl-1-pentan-3-ylpyrrolidine
CID 130909250
1-butan-2-yl-4-chloro-3-methylpiperidine
CID 114682282
(3S)-1-pentan-3-ylpyrrolidin-3-amine;dihydrochloride
CID 166000535
3-(4-hydroxy-3-methylpiperidin-1-yl)pentanimidamide
CID 114678826
2-[(2S)-4-pentan-3-yl-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
CID 92770438
(2R)-2-(4-methylpiperidin-1-yl)butan-1-amine
CID 30081942
4-chloro-3-methyl-1-pentylpiperidine
CID 114682273
4-chloro-1-(2-methoxyethyl)-3-methylpiperidine
CID 114682183
1-butan-2-yl-3-chloropyrrolidine
CID 79445434
3-ethoxy-1-pentan-3-ylpiperidine
CID 173298981
3-chloro-4-methyl-1-(2-methylbutyl)piperidine
CID 102959883
3-(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)pentanenitrile
CID 79174299

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-methyl-1-pentan-3-ylpiperidine?
The IUPAC name of 4-chloro-3-methyl-1-pentan-3-ylpiperidine (CID 114682317) is 4-chloro-3-methyl-1-pentan-3-ylpiperidine.
What is the SMILES notation for 4-chloro-3-methyl-1-pentan-3-ylpiperidine?
The canonical SMILES for 4-chloro-3-methyl-1-pentan-3-ylpiperidine is CCC(CC)N1CCC(Cl)C(C)C1.
What is the InChIKey of 4-chloro-3-methyl-1-pentan-3-ylpiperidine?
The InChIKey is KKHAZUDEEPOBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-4-10(5-2)13-7-6-11(12)9(3)8-13/h9-11H,4-8H2,1-3H3.
What are the key properties of 4-chloro-3-methyl-1-pentan-3-ylpiperidine?
4-chloro-3-methyl-1-pentan-3-ylpiperidine has a molecular weight of 203.76 g/mol, XLogP of 3.12, 3 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-pentan-3-ylpiperidine is sourced from PubChem (CID 114682317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).