2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine

C16H29NO — CID 123663802

IUPAC2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine
SMILESC=C(C)OC(C)(C(=C)C)C1CCCCN1C(C)C
InChIInChI=1S/C16H29NO/c1-12(2)16(7,18-14(5)6)15-10-8-9-11-17(15)13(3)4/h13,15H,1,5,8-11H2,2-4,6-7H3
InChIKeyVFIPIEIVTFLONK-UHFFFAOYSA-N
MW251.41 g/mol
LogP4.13
Rot. Bonds5

About 2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine

2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine (PubChem CID 123663802) has the molecular formula C16H29NO and a molecular weight of 251.41 g/mol. Its IUPAC name is 2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine.

Molecular Properties

Compound Name2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine
PubChem CID123663802
Molecular FormulaC16H29NO
Molecular Weight251.41 g/mol
Exact Mass251.22
IUPAC Name2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine
SMILESC=C(C)OC(C)(C(=C)C)C1CCCCN1C(C)C
InChIInChI=1S/C16H29NO/c1-12(2)16(7,18-14(5)6)15-10-8-9-11-17(15)13(3)4/h13,15H,1,5,8-11H2,2-4,6-7H3
InChIKeyVFIPIEIVTFLONK-UHFFFAOYSA-N
XLogP4.13
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2R)-2-tert-butyl-1-propan-2-ylpiperidine
CID 171587843
2-(1-propan-2-ylpyrrolidin-2-yl)propan-2-ol
CID 72560293
(2S)-2-(1,1-difluoroethyl)-1-propan-2-ylpyrrolidine
CID 135201778
methyl 2-(1-propan-2-ylpiperidin-2-yl)prop-2-enoate
CID 117266930
1-propan-2-yl-2-prop-1-en-2-ylpyrrolidine
CID 67564463
2-(1-propan-2-ylpiperidin-2-yl)prop-2-en-1-ol
CID 117266680
tert-butyl (2R)-1-propan-2-ylpyrrolidine-2-carboxylate
CID 115320230
ethane;2-methyl-1-propan-2-ylpiperidine
CID 143195459
2-methyl-1-propan-2-ylazepane
CID 66910895
1-(1-propan-2-ylpiperidin-2-yl)propan-2-one
CID 79537839
1,2-di(propan-2-yl)azocane
CID 134605032
ethane;1-propan-2-ylpiperidine-2-carboxylic acid
CID 144742898

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine?
The IUPAC name of 2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine (CID 123663802) is 2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine.
What is the SMILES notation for 2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine?
The canonical SMILES for 2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine is C=C(C)OC(C)(C(=C)C)C1CCCCN1C(C)C.
What is the InChIKey of 2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine?
The InChIKey is VFIPIEIVTFLONK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NO/c1-12(2)16(7,18-14(5)6)15-10-8-9-11-17(15)13(3)4/h13,15H,1,5,8-11H2,2-4,6-7H3.
What are the key properties of 2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine?
2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine has a molecular weight of 251.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-prop-1-en-2-yloxybut-3-en-2-yl)-1-propan-2-ylpiperidine is sourced from PubChem (CID 123663802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).