4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine

C14H27NO — CID 91487037

IUPAC4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine
SMILESC=CCCC1(OC(C)C(C)C)CCNCC1
InChIInChI=1S/C14H27NO/c1-5-6-7-14(8-10-15-11-9-14)16-13(4)12(2)3/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyYBDZNUHDEZKKQC-UHFFFAOYSA-N
MW225.38 g/mol
LogP3.14
Rot. Bonds6

About 4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine

4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine (PubChem CID 91487037) has the molecular formula C14H27NO and a molecular weight of 225.38 g/mol. Its IUPAC name is 4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine.

Molecular Properties

Compound Name4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine
PubChem CID91487037
Molecular FormulaC14H27NO
Molecular Weight225.38 g/mol
Exact Mass225.21
IUPAC Name4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine
SMILESC=CCCC1(OC(C)C(C)C)CCNCC1
InChIInChI=1S/C14H27NO/c1-5-6-7-14(8-10-15-11-9-14)16-13(4)12(2)3/h5,12-13,15H,1,6-11H2,2-4H3
InChIKeyYBDZNUHDEZKKQC-UHFFFAOYSA-N
XLogP3.14
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.38
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Fluoro-4-methoxy-3-prop-2-enylpiperidine
CID 170563821
(3S,4R)-3-fluoro-4-methoxy-3-prop-2-enylpiperidine
CID 175976941
4-(Pent-4-en-1-yloxy)piperidine
CID 53409914
3-Prop-2-enylpiperidin-4-ol
CID 55300262
2-Pent-4-en-2-ylmorpholine
CID 66612517
4-(6-Propyldec-1-en-4-yloxy)piperidine
CID 68084406
2-Hept-1-en-3-ylmorpholine
CID 68588233
2-Pent-1-en-3-ylmorpholine
CID 68589735
2-Hex-1-en-3-ylmorpholine
CID 68590103
4-Methoxy-4-(2-methylprop-2-en-1-yl)piperidine
CID 89141975
4-(1-Ethoxyethenyl)piperidine
CID 89209600
4-Methoxy-4-prop-2-enylpiperidine
CID 91115657

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine?
The IUPAC name of 4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine (CID 91487037) is 4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine.
What is the SMILES notation for 4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine?
The canonical SMILES for 4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine is C=CCCC1(OC(C)C(C)C)CCNCC1.
What is the InChIKey of 4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine?
The InChIKey is YBDZNUHDEZKKQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO/c1-5-6-7-14(8-10-15-11-9-14)16-13(4)12(2)3/h5,12-13,15H,1,6-11H2,2-4H3.
What are the key properties of 4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine?
4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine has a molecular weight of 225.38 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-4-(3-methylbutan-2-yloxy)piperidine is sourced from PubChem (CID 91487037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).