1-buta-1,3-dien-2-yl-3-methylpiperidine

C10H17N — CID 145201276

IUPAC1-buta-1,3-dien-2-yl-3-methylpiperidine
SMILESC=CC(=C)N1CCCC(C)C1
InChIInChI=1S/C10H17N/c1-4-10(3)11-7-5-6-9(2)8-11/h4,9H,1,3,5-8H2,2H3
InChIKeyXMGOSHSOYIKQKS-UHFFFAOYSA-N
MW151.25 g/mol
LogP2.42
Rot. Bonds2

About 1-buta-1,3-dien-2-yl-3-methylpiperidine

1-buta-1,3-dien-2-yl-3-methylpiperidine (PubChem CID 145201276) has the molecular formula C10H17N and a molecular weight of 151.25 g/mol. Its IUPAC name is 1-buta-1,3-dien-2-yl-3-methylpiperidine.

Molecular Properties

Compound Name1-buta-1,3-dien-2-yl-3-methylpiperidine
PubChem CID145201276
Molecular FormulaC10H17N
Molecular Weight151.25 g/mol
Exact Mass151.14
IUPAC Name1-buta-1,3-dien-2-yl-3-methylpiperidine
SMILESC=CC(=C)N1CCCC(C)C1
InChIInChI=1S/C10H17N/c1-4-10(3)11-7-5-6-9(2)8-11/h4,9H,1,3,5-8H2,2H3
InChIKeyXMGOSHSOYIKQKS-UHFFFAOYSA-N
XLogP2.42
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

methane;1-(3-methylpiperidin-1-yl)prop-2-en-1-one
CID 145271377
4-buta-1,3-dien-2-yl-1,2-dimethylpiperazine
CID 139337863
(3R)-1-buta-1,3-dien-2-yl-3-propan-2-ylazepane
CID 164736264
1-buta-1,3-dien-2-yl-3-pentylpiperidine
CID 135219142
(3R)-1-buta-1,3-dien-2-yl-N-tert-butyl-N-ethylpiperidin-3-amine
CID 159678915
3-methylpiperidine-1-carboxylic acid
CID 22047728
3-methyl-N-prop-2-enylpiperidine-1-carboxamide
CID 108987828
ethane;1-[(3R)-3-methylpiperidin-1-yl]ethanone
CID 176561282
ethane;1-(3-methylpiperidin-1-yl)ethanone
CID 91356589
3-methylpiperidine-1-carboxamide
CID 16786142
N-[(E)-3,3-dimethylbut-1-enyl]-3-methylpiperidine-1-carboxamide
CID 108911412
(3S)-3-methyl-1-(1-phenylethenyl)piperidine
CID 143536748

Frequently Asked Questions

What is the IUPAC name of 1-buta-1,3-dien-2-yl-3-methylpiperidine?
The IUPAC name of 1-buta-1,3-dien-2-yl-3-methylpiperidine (CID 145201276) is 1-buta-1,3-dien-2-yl-3-methylpiperidine.
What is the SMILES notation for 1-buta-1,3-dien-2-yl-3-methylpiperidine?
The canonical SMILES for 1-buta-1,3-dien-2-yl-3-methylpiperidine is C=CC(=C)N1CCCC(C)C1.
What is the InChIKey of 1-buta-1,3-dien-2-yl-3-methylpiperidine?
The InChIKey is XMGOSHSOYIKQKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N/c1-4-10(3)11-7-5-6-9(2)8-11/h4,9H,1,3,5-8H2,2H3.
What are the key properties of 1-buta-1,3-dien-2-yl-3-methylpiperidine?
1-buta-1,3-dien-2-yl-3-methylpiperidine has a molecular weight of 151.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-buta-1,3-dien-2-yl-3-methylpiperidine is sourced from PubChem (CID 145201276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).