4-methyl-3,4-di(propan-2-yl)piperidine

C12H25N — CID 79320143

IUPAC4-methyl-3,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CNCCC1(C)C(C)C
InChIInChI=1S/C12H25N/c1-9(2)11-8-13-7-6-12(11,5)10(3)4/h9-11,13H,6-8H2,1-5H3
InChIKeyCLUCRXUNZHATQB-UHFFFAOYSA-N
MW183.34 g/mol
LogP2.91
Rot. Bonds2

About 4-methyl-3,4-di(propan-2-yl)piperidine

4-methyl-3,4-di(propan-2-yl)piperidine (PubChem CID 79320143) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4-methyl-3,4-di(propan-2-yl)piperidine.

Molecular Properties

Compound Name4-methyl-3,4-di(propan-2-yl)piperidine
PubChem CID79320143
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4-methyl-3,4-di(propan-2-yl)piperidine
SMILESCC(C)C1CNCCC1(C)C(C)C
InChIInChI=1S/C12H25N/c1-9(2)11-8-13-7-6-12(11,5)10(3)4/h9-11,13H,6-8H2,1-5H3
InChIKeyCLUCRXUNZHATQB-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.34
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol
CID 134386945
4,4-difluoro-3-propan-2-ylpiperidine
CID 84651634
4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine
CID 79321482
3-cyclopentyl-4-methyl-4-propan-2-ylpiperidine
CID 112570765
4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine
CID 79321611
4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine
CID 79320532
3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine
CID 79435538
4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine
CID 79321513
3-(3-bromophenyl)-4-methyl-4-propan-2-ylpiperidine
CID 79430058
4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine
CID 114835125
(4R)-3,4-dimethyl-3-propan-2-ylpyrrolidine
CID 135170137
(3S,4S)-3,4-dimethyl-3-propan-2-ylpyrrolidine
CID 118444596

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3,4-di(propan-2-yl)piperidine?
The IUPAC name of 4-methyl-3,4-di(propan-2-yl)piperidine (CID 79320143) is 4-methyl-3,4-di(propan-2-yl)piperidine.
What is the SMILES notation for 4-methyl-3,4-di(propan-2-yl)piperidine?
The canonical SMILES for 4-methyl-3,4-di(propan-2-yl)piperidine is CC(C)C1CNCCC1(C)C(C)C.
What is the InChIKey of 4-methyl-3,4-di(propan-2-yl)piperidine?
The InChIKey is CLUCRXUNZHATQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)11-8-13-7-6-12(11,5)10(3)4/h9-11,13H,6-8H2,1-5H3.
What are the key properties of 4-methyl-3,4-di(propan-2-yl)piperidine?
4-methyl-3,4-di(propan-2-yl)piperidine has a molecular weight of 183.34 g/mol, XLogP of 2.91, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3,4-di(propan-2-yl)piperidine is sourced from PubChem (CID 79320143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).