3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine

C17H29N — CID 134397975

IUPAC3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine
SMILESC=C=C(CC(C)(C)C)N1CCCC(C(=C)CC)C1
InChIInChI=1S/C17H29N/c1-7-14(3)15-10-9-11-18(13-15)16(8-2)12-17(4,5)6/h15H,2-3,7,9-13H2,1,4-6H3
InChIKeyLLQKIXBTDHEAMQ-UHFFFAOYSA-N
MW247.43 g/mol
LogP4.77
Rot. Bonds4

About 3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine

3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine (PubChem CID 134397975) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is 3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine.

Molecular Properties

Compound Name3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine
PubChem CID134397975
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine
SMILESC=C=C(CC(C)(C)C)N1CCCC(C(=C)CC)C1
InChIInChI=1S/C17H29N/c1-7-14(3)15-10-9-11-18(13-15)16(8-2)12-17(4,5)6/h15H,2-3,7,9-13H2,1,4-6H3
InChIKeyLLQKIXBTDHEAMQ-UHFFFAOYSA-N
XLogP4.77
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 102553202
(3S)-1-[2-(3,3-dimethylbutanoylamino)acetyl]piperidine-3-carboxylic acid
CID 99638975
1-(cyclopropanecarbonyl)-N-(1-hydroxy-2-methylpropan-2-yl)piperidine-3-carboxamide
CID 43500690
(3R)-1-[(2S)-1-(3,3-dimethylbutanoyl)pyrrolidine-2-carbonyl]piperidine-3-carboxamide
CID 95332251
N-(2-aminoethyl)-1-(3,3-dimethylbutanoyl)piperidine-3-carboxamide;hydrochloride
CID 119479684
(NZ)-N-(1-cyclohexyl-3,3-dimethylbutylidene)hydroxylamine
CID 59350977
2-methyl-2-(3-methylpiperidine-1-carbonyl)butanenitrile
CID 114290889
N-(2-amino-2-methylpropyl)-1-butanoylpiperidine-3-carboxamide
CID 119629275
2,2-dimethyl-1-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]propan-1-one
CID 94857668
1-(3-aminopropanoyl)-N-pentan-2-ylpiperidine-3-carboxamide;hydrochloride
CID 119311679
N-ethyl-1-propanoylpiperidine-3-carboxamide
CID 68576487
1-[3-(bromomethyl)piperidin-1-yl]-3,3-dimethylbutan-1-one
CID 80660591

Frequently Asked Questions

What is the IUPAC name of 3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine?
The IUPAC name of 3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine (CID 134397975) is 3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine.
What is the SMILES notation for 3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine?
The canonical SMILES for 3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine is C=C=C(CC(C)(C)C)N1CCCC(C(=C)CC)C1.
What is the InChIKey of 3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine?
The InChIKey is LLQKIXBTDHEAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N/c1-7-14(3)15-10-9-11-18(13-15)16(8-2)12-17(4,5)6/h15H,2-3,7,9-13H2,1,4-6H3.
What are the key properties of 3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine?
3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine has a molecular weight of 247.43 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-en-2-yl-1-(5,5-dimethylhexa-1,2-dien-3-yl)piperidine is sourced from PubChem (CID 134397975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).