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

C14H29N — CID 79320532

IUPAC4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine
SMILESCC(C)CCC1(C)CCNCC1C(C)C
InChIInChI=1S/C14H29N/c1-11(2)6-7-14(5)8-9-15-10-13(14)12(3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyVRBFHNDAJDPRFO-UHFFFAOYSA-N
MW211.39 g/mol
LogP3.69
Rot. Bonds4

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

4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine (PubChem CID 79320532) has the molecular formula C14H29N and a molecular weight of 211.39 g/mol. Its IUPAC name is 4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine
PubChem CID79320532
Molecular FormulaC14H29N
Molecular Weight211.39 g/mol
Exact Mass211.23
IUPAC Name4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine
SMILESCC(C)CCC1(C)CCNCC1C(C)C
InChIInChI=1S/C14H29N/c1-11(2)6-7-14(5)8-9-15-10-13(14)12(3)4/h11-13,15H,6-10H2,1-5H3
InChIKeyVRBFHNDAJDPRFO-UHFFFAOYSA-N
XLogP3.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.39
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(methoxymethyl)-4-methyl-3-propan-2-ylpiperidine
CID 79321611
4-(2-methoxy-2-methylpropyl)-4-methyl-3-propan-2-ylpiperidine
CID 79321513
4-methyl-3,4-di(propan-2-yl)piperidine
CID 79320143
4-[(2-fluorophenyl)methyl]-4-methyl-3-propan-2-ylpiperidine
CID 114835125
4,4-difluoro-3-propan-2-ylpiperidine
CID 84651634
1-methyl-2-propan-2-yl-1-propylcyclobutane
CID 123382647
3-ethyl-4-methyl-4-propylpiperidine
CID 79321517
2-methyl-2-(3-methylbutyl)cyclopropan-1-amine
CID 62389533
4-methoxy-4-(3-methylbutyl)piperidine
CID 105441855
3-ethyl-4-methyl-4-pentylpiperidine
CID 80560272
4-methyl-4-(2-methylpropyl)-3-phenylpiperidine
CID 79311894
1-(3-methylbutyl)-2-propan-2-ylcyclopropan-1-amine
CID 84653595

Frequently Asked Questions

What is the IUPAC name of 4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine?
The IUPAC name of 4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine (CID 79320532) is 4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine.
What is the SMILES notation for 4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine?
The canonical SMILES for 4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine is CC(C)CCC1(C)CCNCC1C(C)C.
What is the InChIKey of 4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine?
The InChIKey is VRBFHNDAJDPRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N/c1-11(2)6-7-14(5)8-9-15-10-13(14)12(3)4/h11-13,15H,6-10H2,1-5H3.
What are the key properties of 4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine?
4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine has a molecular weight of 211.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-4-(3-methylbutyl)-3-propan-2-ylpiperidine is sourced from PubChem (CID 79320532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).