1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine

C11H21N — CID 165128841

IUPAC1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine
SMILESC/C=C(/C)N1CC(C)CC(C)C1
InChIInChI=1S/C11H21N/c1-5-11(4)12-7-9(2)6-10(3)8-12/h5,9-10H,6-8H2,1-4H3/b11-5-
InChIKeyKRDHDMZESJFSBF-WZUFQYTHSA-N
MW167.30 g/mol
LogP2.89
Rot. Bonds1

About 1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine

1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine (PubChem CID 165128841) has the molecular formula C11H21N and a molecular weight of 167.30 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine
PubChem CID165128841
Molecular FormulaC11H21N
Molecular Weight167.30 g/mol
Exact Mass167.17
IUPAC Name1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine
SMILESC/C=C(/C)N1CC(C)CC(C)C1
InChIInChI=1S/C11H21N/c1-5-11(4)12-7-9(2)6-10(3)8-12/h5,9-10H,6-8H2,1-4H3/b11-5-
InChIKeyKRDHDMZESJFSBF-WZUFQYTHSA-N
XLogP2.89
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine (CID 165128841) is 1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine is C/C=C(/C)N1CC(C)CC(C)C1.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine?
The InChIKey is KRDHDMZESJFSBF-WZUFQYTHSA-N. The full InChI is InChI=1S/C11H21N/c1-5-11(4)12-7-9(2)6-10(3)8-12/h5,9-10H,6-8H2,1-4H3/b11-5-.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine?
1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine has a molecular weight of 167.30 g/mol, XLogP of 2.89, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-3,5-dimethylpiperidine is sourced from PubChem (CID 165128841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).