4-(3,4-dimethylpentan-2-yl)piperidine

C12H25N — CID 131198320

IUPAC4-(3,4-dimethylpentan-2-yl)piperidine
SMILESCC(C)C(C)C(C)C1CCNCC1
InChIInChI=1S/C12H25N/c1-9(2)10(3)11(4)12-5-7-13-8-6-12/h9-13H,5-8H2,1-4H3
InChIKeyGTHCBHPGAKXSID-UHFFFAOYSA-N
MW183.34 g/mol
LogP2.91
Rot. Bonds3

About 4-(3,4-dimethylpentan-2-yl)piperidine

4-(3,4-dimethylpentan-2-yl)piperidine (PubChem CID 131198320) has the molecular formula C12H25N and a molecular weight of 183.34 g/mol. Its IUPAC name is 4-(3,4-dimethylpentan-2-yl)piperidine.

Molecular Properties

Compound Name4-(3,4-dimethylpentan-2-yl)piperidine
PubChem CID131198320
Molecular FormulaC12H25N
Molecular Weight183.34 g/mol
Exact Mass183.20
IUPAC Name4-(3,4-dimethylpentan-2-yl)piperidine
SMILESCC(C)C(C)C(C)C1CCNCC1
InChIInChI=1S/C12H25N/c1-9(2)10(3)11(4)12-5-7-13-8-6-12/h9-13H,5-8H2,1-4H3
InChIKeyGTHCBHPGAKXSID-UHFFFAOYSA-N
XLogP2.91
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
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

4-[(2S)-3-methylbutan-2-yl]piperidine
CID 126758303
3-piperidin-4-ylbutan-2-ol
CID 154192279
3,4,5-trimethylhexan-2-ylcyclopropane
CID 91122499
1-(3,4-dimethylpentan-2-yl)-4-methylcyclohexane
CID 123566081
4-[(2R)-3,3-dimethylbutan-2-yl]piperidine
CID 146228118
4-[(1R)-1-fluoroethyl]piperidine
CID 124547551
4-[(1R)-1-methoxyethyl]piperidine
CID 95732416
3-methyl-2-piperidin-4-ylbutan-1-amine
CID 82598281
4-(1-cyclopentylpropan-2-yl)piperidine
CID 131198877
N-[(1R)-1-cycloheptylethyl]piperidin-4-amine
CID 81391963
4-[(2R)-butan-2-yl]piperidine;ethane
CID 142032949
4-(2-methyl-1-piperidin-4-ylpropyl)pyridine
CID 83910226

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dimethylpentan-2-yl)piperidine?
The IUPAC name of 4-(3,4-dimethylpentan-2-yl)piperidine (CID 131198320) is 4-(3,4-dimethylpentan-2-yl)piperidine.
What is the SMILES notation for 4-(3,4-dimethylpentan-2-yl)piperidine?
The canonical SMILES for 4-(3,4-dimethylpentan-2-yl)piperidine is CC(C)C(C)C(C)C1CCNCC1.
What is the InChIKey of 4-(3,4-dimethylpentan-2-yl)piperidine?
The InChIKey is GTHCBHPGAKXSID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N/c1-9(2)10(3)11(4)12-5-7-13-8-6-12/h9-13H,5-8H2,1-4H3.
What are the key properties of 4-(3,4-dimethylpentan-2-yl)piperidine?
4-(3,4-dimethylpentan-2-yl)piperidine has a molecular weight of 183.34 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dimethylpentan-2-yl)piperidine is sourced from PubChem (CID 131198320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).