(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine

C13H25N — CID 134195627

IUPAC(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CCC2)C[C@H]1C
InChIInChI=1S/C13H25N/c1-10(2)13-7-8-14(9-11(13)3)12-5-4-6-12/h10-13H,4-9H2,1-3H3/t11-,13?/m1/s1
InChIKeyUHVMZGDIAPPYKI-JTDNENJMSA-N
MW195.35 g/mol
LogP3.15
Rot. Bonds2

About (3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine

(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine (PubChem CID 134195627) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is (3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
PubChem CID134195627
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
SMILESCC(C)C1CCN(C2CCC2)C[C@H]1C
InChIInChI=1S/C13H25N/c1-10(2)13-7-8-14(9-11(13)3)12-5-4-6-12/h10-13H,4-9H2,1-3H3/t11-,13?/m1/s1
InChIKeyUHVMZGDIAPPYKI-JTDNENJMSA-N
XLogP3.15
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3S,4S)-1-cyclopentyl-4-methyl-3-propan-2-ylpiperidine
CID 134195528
(3S)-1-cyclobutyl-4-propan-2-ylpiperidine-3-thiol
CID 134203220
(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
CID 139299028
(3S)-1-cyclobutyl-3-methylpiperidine;2-methylpropane
CID 145118485
1-cyclobutyl-3-fluoro-4-methylpiperidine
CID 130674980
4-bromo-1-cyclopentyl-3-methylpiperidine
CID 114682512
cis-(1S,2S)-1-methyl-2-propan-2-ylcyclopentane
CID 59954464
2,3-di(propan-2-yl)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizine
CID 58450035
1-(4-tert-butylcycloheptyl)-3-methylpiperidin-4-amine
CID 79880572
1-cyclohexyl-3-methylpyrrolidine
CID 13402657
(3R)-1-cyclopropyl-3-propan-2-ylpyrrolidine
CID 176871343
1-cyclobutyl-3,5-dimethylpiperidin-4-ol
CID 170614269

Frequently Asked Questions

What is the IUPAC name of (3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine?
The IUPAC name of (3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine (CID 134195627) is (3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine.
What is the SMILES notation for (3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine?
The canonical SMILES for (3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine is CC(C)C1CCN(C2CCC2)C[C@H]1C.
What is the InChIKey of (3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine?
The InChIKey is UHVMZGDIAPPYKI-JTDNENJMSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)13-7-8-14(9-11(13)3)12-5-4-6-12/h10-13H,4-9H2,1-3H3/t11-,13?/m1/s1.
What are the key properties of (3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine?
(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.15, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine is sourced from PubChem (CID 134195627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).