3-chloro-4-methyl-1-(2-methylbutyl)piperidine

C11H22ClN — CID 102959883

IUPAC3-chloro-4-methyl-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCC(C)C(Cl)C1
InChIInChI=1S/C11H22ClN/c1-4-9(2)7-13-6-5-10(3)11(12)8-13/h9-11H,4-8H2,1-3H3
InChIKeyMKHSJFRFTOGMJJ-UHFFFAOYSA-N
MW203.76 g/mol
LogP2.98
Rot. Bonds3

About 3-chloro-4-methyl-1-(2-methylbutyl)piperidine

3-chloro-4-methyl-1-(2-methylbutyl)piperidine (PubChem CID 102959883) has the molecular formula C11H22ClN and a molecular weight of 203.76 g/mol. Its IUPAC name is 3-chloro-4-methyl-1-(2-methylbutyl)piperidine.

Molecular Properties

Compound Name3-chloro-4-methyl-1-(2-methylbutyl)piperidine
PubChem CID102959883
Molecular FormulaC11H22ClN
Molecular Weight203.76 g/mol
Exact Mass203.14
IUPAC Name3-chloro-4-methyl-1-(2-methylbutyl)piperidine
SMILESCCC(C)CN1CCC(C)C(Cl)C1
InChIInChI=1S/C11H22ClN/c1-4-9(2)7-13-6-5-10(3)11(12)8-13/h9-11H,4-8H2,1-3H3
InChIKeyMKHSJFRFTOGMJJ-UHFFFAOYSA-N
XLogP2.98
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 ≤ 52.98
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-pentylpiperidine
CID 102960020
1-(2-methylbutyl)-4-(3-methylpentyl)piperidine
CID 166678927
5-(2-methylbutyl)-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 130578117
4-(1-bromoethyl)-1-(2-methylbutyl)piperidine
CID 106838267
5-chloro-2-(2-methylbutyl)-1,3,3a,4,5,6,7,7a-octahydroisoindole
CID 130987557
(3R)-1-(2-methylpentyl)pyrrolidin-3-ol
CID 66291662
3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
CID 63388562
1-(2-methylbutyl)piperidine-4-carboxylic acid
CID 62104958
(4R)-1-ethyl-4-methyl-3-propan-2-ylpiperidine
CID 166105032
3-(2-bromoethyl)-1-(2-methylbutyl)piperidine
CID 80691877
[3-methyl-1-(2-methylbutyl)pyrrolidin-2-yl]methanamine
CID 102784417
4-(2,5-dimethylheptyl)-1-(2-methylpropyl)piperidine
CID 167107327

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-methyl-1-(2-methylbutyl)piperidine?
The IUPAC name of 3-chloro-4-methyl-1-(2-methylbutyl)piperidine (CID 102959883) is 3-chloro-4-methyl-1-(2-methylbutyl)piperidine.
What is the SMILES notation for 3-chloro-4-methyl-1-(2-methylbutyl)piperidine?
The canonical SMILES for 3-chloro-4-methyl-1-(2-methylbutyl)piperidine is CCC(C)CN1CCC(C)C(Cl)C1.
What is the InChIKey of 3-chloro-4-methyl-1-(2-methylbutyl)piperidine?
The InChIKey is MKHSJFRFTOGMJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22ClN/c1-4-9(2)7-13-6-5-10(3)11(12)8-13/h9-11H,4-8H2,1-3H3.
What are the key properties of 3-chloro-4-methyl-1-(2-methylbutyl)piperidine?
3-chloro-4-methyl-1-(2-methylbutyl)piperidine has a molecular weight of 203.76 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-methyl-1-(2-methylbutyl)piperidine is sourced from PubChem (CID 102959883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).