4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine

C13H27N — CID 79321482

IUPAC4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine
SMILESCC(C)CC1CNCCC1(C)C(C)C
InChIInChI=1S/C13H27N/c1-10(2)8-12-9-14-7-6-13(12,5)11(3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyYPLIFBKWJVMJFF-UHFFFAOYSA-N
MW197.37 g/mol
LogP3.30
Rot. Bonds3

About 4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine

4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine (PubChem CID 79321482) has the molecular formula C13H27N and a molecular weight of 197.37 g/mol. Its IUPAC name is 4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine
PubChem CID79321482
Molecular FormulaC13H27N
Molecular Weight197.37 g/mol
Exact Mass197.21
IUPAC Name4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine
SMILESCC(C)CC1CNCCC1(C)C(C)C
InChIInChI=1S/C13H27N/c1-10(2)8-12-9-14-7-6-13(12,5)11(3)4/h10-12,14H,6-9H2,1-5H3
InChIKeyYPLIFBKWJVMJFF-UHFFFAOYSA-N
XLogP3.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.37
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3,9-bis(2-methylpropyl)-7-azaspiro[3.5]nonane
CID 170056384
4,4-dimethyl-10-(2-methylpropyl)-8-azaspiro[4.5]decane
CID 79863112
4-methyl-3,4-di(propan-2-yl)piperidine
CID 79320143
(4S)-4-methyl-4-propan-2-ylpiperidine-3-thiol
CID 134386945
3-methyl-11-(2-methylpropyl)-3,9-diazaspiro[5.5]undecane
CID 79321099
4-ethyl-4-(2-methylbutyl)-3-(2-methylpropyl)piperidine
CID 79320802
2-(2-methylpropyl)-6-azaspiro[2.5]octane
CID 115013358
9-methyl-5-(2-methylpropyl)-3-azaspiro[5.6]dodecane
CID 79320901
3-cyclopentyl-4-methyl-4-propan-2-ylpiperidine
CID 112570765
9-methyl-5-(2-methylpropyl)-3,9-diazaspiro[5.6]dodecane
CID 79320211
3-(4-chlorophenyl)-4-methyl-4-propan-2-ylpiperidine
CID 79435538
3'-(2-methylpropyl)spiro[2,4-dihydro-1H-naphthalene-3,4'-piperidine]
CID 79321001

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine?
The IUPAC name of 4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine (CID 79321482) is 4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine.
What is the SMILES notation for 4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine?
The canonical SMILES for 4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine is CC(C)CC1CNCCC1(C)C(C)C.
What is the InChIKey of 4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine?
The InChIKey is YPLIFBKWJVMJFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27N/c1-10(2)8-12-9-14-7-6-13(12,5)11(3)4/h10-12,14H,6-9H2,1-5H3.
What are the key properties of 4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine?
4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine has a molecular weight of 197.37 g/mol, XLogP of 3.30, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(2-methylpropyl)-4-propan-2-ylpiperidine is sourced from PubChem (CID 79321482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).