4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine

C12H23NO — CID 143071626

IUPAC4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine
SMILESCCC(C)/C=C/N1CCC(OC)CC1
InChIInChI=1S/C12H23NO/c1-4-11(2)5-8-13-9-6-12(14-3)7-10-13/h5,8,11-12H,4,6-7,9-10H2,1-3H3/b8-5+
InChIKeyBEACYXXQCGQRRP-VMPITWQZSA-N
MW197.32 g/mol
LogP2.66
Rot. Bonds4

About 4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine

4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine (PubChem CID 143071626) has the molecular formula C12H23NO and a molecular weight of 197.32 g/mol. Its IUPAC name is 4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine.

Molecular Properties

Compound Name4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine
PubChem CID143071626
Molecular FormulaC12H23NO
Molecular Weight197.32 g/mol
Exact Mass197.18
IUPAC Name4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine
SMILESCCC(C)/C=C/N1CCC(OC)CC1
InChIInChI=1S/C12H23NO/c1-4-11(2)5-8-13-9-6-12(14-3)7-10-13/h5,8,11-12H,4,6-7,9-10H2,1-3H3/b8-5+
InChIKeyBEACYXXQCGQRRP-VMPITWQZSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine?
The IUPAC name of 4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine (CID 143071626) is 4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine.
What is the SMILES notation for 4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine?
The canonical SMILES for 4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine is CCC(C)/C=C/N1CCC(OC)CC1.
What is the InChIKey of 4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine?
The InChIKey is BEACYXXQCGQRRP-VMPITWQZSA-N. The full InChI is InChI=1S/C12H23NO/c1-4-11(2)5-8-13-9-6-12(14-3)7-10-13/h5,8,11-12H,4,6-7,9-10H2,1-3H3/b8-5+.
What are the key properties of 4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine?
4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine has a molecular weight of 197.32 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-[(E)-3-methylpent-1-enyl]piperidine is sourced from PubChem (CID 143071626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).