1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine

C13H25N — CID 159243068

IUPAC1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine
SMILESC=C(C(C)C)N1CCCC(C(C)C)C1
InChIInChI=1S/C13H25N/c1-10(2)12(5)14-8-6-7-13(9-14)11(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyPYLVPDMNLGKRGX-UHFFFAOYSA-N
MW195.35 g/mol
LogP3.52
Rot. Bonds3

About 1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine

1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine (PubChem CID 159243068) has the molecular formula C13H25N and a molecular weight of 195.35 g/mol. Its IUPAC name is 1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine.

Molecular Properties

Compound Name1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine
PubChem CID159243068
Molecular FormulaC13H25N
Molecular Weight195.35 g/mol
Exact Mass195.20
IUPAC Name1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine
SMILESC=C(C(C)C)N1CCCC(C(C)C)C1
InChIInChI=1S/C13H25N/c1-10(2)12(5)14-8-6-7-13(9-14)11(3)4/h10-11,13H,5-9H2,1-4H3
InChIKeyPYLVPDMNLGKRGX-UHFFFAOYSA-N
XLogP3.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-1-buta-1,3-dien-2-yl-3-propan-2-ylazepane
CID 164736264
2-methyl-1-[(3S)-3-propan-2-ylazepan-1-yl]propan-1-one
CID 156676279
ethane;3-methyl-1-(3-methylbut-1-en-2-yl)pyrrolidine
CID 177053837
ethane;1-(3-propan-2-ylpiperidin-1-yl)propan-1-one
CID 144584534
(E)-1-[(3S)-3-propan-2-ylpiperidin-1-yl]but-2-en-1-one
CID 121486095
3-methoxy-1-[(3S)-3-propan-2-ylpiperidin-1-yl]propan-1-one
CID 58395437
3-propan-2-yl-1-sulfanylpiperidine
CID 126691243
3-(difluoromethyl)-1-prop-1-en-2-ylpiperidine;ethane
CID 177326278
1-(3-chloroprop-1-en-2-yl)-3-propan-2-ylpyrrolidine
CID 169182489
2-methyl-1-(3-propan-2-ylpyrrolidin-1-yl)propan-1-one
CID 90077533
N,3-di(propan-2-yl)pyrrolidine-1-carboxamide;molecular hydrogen
CID 169182520
(2R)-2-chloro-1-[(3S)-3-(difluoromethyl)piperidin-1-yl]propan-1-one
CID 129497963

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine?
The IUPAC name of 1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine (CID 159243068) is 1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine.
What is the SMILES notation for 1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine?
The canonical SMILES for 1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine is C=C(C(C)C)N1CCCC(C(C)C)C1.
What is the InChIKey of 1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine?
The InChIKey is PYLVPDMNLGKRGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N/c1-10(2)12(5)14-8-6-7-13(9-14)11(3)4/h10-11,13H,5-9H2,1-4H3.
What are the key properties of 1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine?
1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine has a molecular weight of 195.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-en-2-yl)-3-propan-2-ylpiperidine is sourced from PubChem (CID 159243068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).