1-but-1-en-2-yl-4-propan-2-yloxypiperidine

C12H23NO — CID 166729509

IUPAC1-but-1-en-2-yl-4-propan-2-yloxypiperidine
SMILESC=C(CC)N1CCC(OC(C)C)CC1
InChIInChI=1S/C12H23NO/c1-5-11(4)13-8-6-12(7-9-13)14-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyFEUJGOJTMYLGGX-UHFFFAOYSA-N
MW197.32 g/mol
LogP2.80
Rot. Bonds4

About 1-but-1-en-2-yl-4-propan-2-yloxypiperidine

1-but-1-en-2-yl-4-propan-2-yloxypiperidine (PubChem CID 166729509) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 1-but-1-en-2-yl-4-propan-2-yloxypiperidine.

Molecular Properties

Compound Name1-but-1-en-2-yl-4-propan-2-yloxypiperidine
PubChem CID166729509
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name1-but-1-en-2-yl-4-propan-2-yloxypiperidine
SMILESC=C(CC)N1CCC(OC(C)C)CC1
InChIInChI=1S/C12H23NO/c1-5-11(4)13-8-6-12(7-9-13)14-10(2)3/h10,12H,4-9H2,1-3H3
InChIKeyFEUJGOJTMYLGGX-UHFFFAOYSA-N
XLogP2.80
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-but-1-en-2-yl-4-propan-2-yloxypiperidine?
The IUPAC name of 1-but-1-en-2-yl-4-propan-2-yloxypiperidine (CID 166729509) is 1-but-1-en-2-yl-4-propan-2-yloxypiperidine.
What is the SMILES notation for 1-but-1-en-2-yl-4-propan-2-yloxypiperidine?
The canonical SMILES for 1-but-1-en-2-yl-4-propan-2-yloxypiperidine is C=C(CC)N1CCC(OC(C)C)CC1.
What is the InChIKey of 1-but-1-en-2-yl-4-propan-2-yloxypiperidine?
The InChIKey is FEUJGOJTMYLGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23NO/c1-5-11(4)13-8-6-12(7-9-13)14-10(2)3/h10,12H,4-9H2,1-3H3.
What are the key properties of 1-but-1-en-2-yl-4-propan-2-yloxypiperidine?
1-but-1-en-2-yl-4-propan-2-yloxypiperidine has a molecular weight of 197.32 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-1-en-2-yl-4-propan-2-yloxypiperidine is sourced from PubChem (CID 166729509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).