3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine

C12H23N — CID 171505974

IUPAC3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(C(C)C)C(C)C1
InChIInChI=1S/C12H23N/c1-9(2)12-6-7-13(10(3)4)8-11(12)5/h9,11-12H,3,6-8H2,1-2,4-5H3
InChIKeyRNZVXUCFNYPHIB-UHFFFAOYSA-N
MW181.32 g/mol
LogP3.13
Rot. Bonds2

About 3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine

3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine (PubChem CID 171505974) has the molecular formula C12H23N and a molecular weight of 181.32 g/mol. Its IUPAC name is 3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine.

Molecular Properties

Compound Name3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
PubChem CID171505974
Molecular FormulaC12H23N
Molecular Weight181.32 g/mol
Exact Mass181.18
IUPAC Name3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine
SMILESC=C(C)N1CCC(C(C)C)C(C)C1
InChIInChI=1S/C12H23N/c1-9(2)12-6-7-13(10(3)4)8-11(12)5/h9,11-12H,3,6-8H2,1-2,4-5H3
InChIKeyRNZVXUCFNYPHIB-UHFFFAOYSA-N
XLogP3.13
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.32
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-1-prop-1-en-2-ylpyrrolidine
CID 90249054
(3S)-3-methyl-1,4-di(propan-2-yl)piperidine
CID 139299028
(3R,4R)-4-(1-aminoethyl)-3-methylpiperidine-1-carboxylic acid
CID 166745718
(3S)-1-cyclobutyl-3-methyl-4-propan-2-ylpiperidine
CID 134195627
2-methyl-1-(1-prop-1-en-2-ylpiperidin-4-yl)propan-1-one
CID 122675460
4-chloro-1-prop-1-en-2-ylpiperidine
CID 11367163
3-[(2-methylpropan-2-yl)oxymethyl]-1-prop-1-en-2-ylpyrrolidine
CID 159458863
(1R)-1-methyl-2-propan-2-ylcyclobutane
CID 158704963
ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine
CID 177053837
3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane
CID 177326278
2-(1-prop-1-en-2-ylpyrrolidin-3-yl)acetic acid
CID 19705453
ethane;1-(3-hydroxy-4-propan-2-ylpiperidin-1-yl)prop-2-en-1-one
CID 176981752

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The IUPAC name of 3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine (CID 171505974) is 3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine.
What is the SMILES notation for 3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The canonical SMILES for 3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine is C=C(C)N1CCC(C(C)C)C(C)C1.
What is the InChIKey of 3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
The InChIKey is RNZVXUCFNYPHIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N/c1-9(2)12-6-7-13(10(3)4)8-11(12)5/h9,11-12H,3,6-8H2,1-2,4-5H3.
What are the key properties of 3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine?
3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine has a molecular weight of 181.32 g/mol, XLogP of 3.13, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-propan-2-yl-1-prop-1-en-2-ylpiperidine is sourced from PubChem (CID 171505974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).