1-methyl-3-[(E)-prop-1-enyl]piperidine

C9H17N — CID 20585175

IUPAC1-methyl-3-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1CCCN(C)C1
InChIInChI=1S/C9H17N/c1-3-5-9-6-4-7-10(2)8-9/h3,5,9H,4,6-8H2,1-2H3/b5-3+
InChIKeyOVOBGNRSNVQGQN-HWKANZROSA-N
MW139.24 g/mol
LogP1.90
Rot. Bonds1

About 1-methyl-3-[(E)-prop-1-enyl]piperidine

1-methyl-3-[(E)-prop-1-enyl]piperidine (PubChem CID 20585175) has the molecular formula C9H17N and a molecular weight of 139.24 g/mol. Its IUPAC name is 1-methyl-3-[(E)-prop-1-enyl]piperidine.

Molecular Properties

Compound Name1-methyl-3-[(E)-prop-1-enyl]piperidine
PubChem CID20585175
Molecular FormulaC9H17N
Molecular Weight139.24 g/mol
Exact Mass139.14
IUPAC Name1-methyl-3-[(E)-prop-1-enyl]piperidine
SMILESC/C=C/C1CCCN(C)C1
InChIInChI=1S/C9H17N/c1-3-5-9-6-4-7-10(2)8-9/h3,5,9H,4,6-8H2,1-2H3/b5-3+
InChIKeyOVOBGNRSNVQGQN-HWKANZROSA-N
XLogP1.90
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-Cyclohexene-1-methylamine, N-methyl-N-2-propynyl-
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1-Geranylpiperidine
CID 12760939
3-Cyclohexene-1-methylamine, N,N-dimethyl-, hydrochloride
CID 200461
3-Cyclohexene-1-methylamine, N,N-diethyl-, hydrochloride
CID 200463
[(1S)-cyclohex-3-en-1-yl]methyl-trimethylazanium iodide
CID 118719152
Cambridge id 5410985
CID 28239625
2-Azabicyclo(2.2.2)oct-5-ene, 2-methyl-
CID 138008
1-cyclohex-3-en-1-yl-N,N-dimethylmethanamine
CID 200462
1-(3,7-Dimethyl-6-octen-1-yl)-4-methylpiperazine
CID 2845214
Cambridge id 5425829
CID 2845835
Piperazine, 1-(3-cyclohexen-1-ylmethyl)-4-ethyl-(9CI)
CID 2845926
Cambridge id 5427223
CID 2845934

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[(E)-prop-1-enyl]piperidine?
The IUPAC name of 1-methyl-3-[(E)-prop-1-enyl]piperidine (CID 20585175) is 1-methyl-3-[(E)-prop-1-enyl]piperidine.
What is the SMILES notation for 1-methyl-3-[(E)-prop-1-enyl]piperidine?
The canonical SMILES for 1-methyl-3-[(E)-prop-1-enyl]piperidine is C/C=C/C1CCCN(C)C1.
What is the InChIKey of 1-methyl-3-[(E)-prop-1-enyl]piperidine?
The InChIKey is OVOBGNRSNVQGQN-HWKANZROSA-N. The full InChI is InChI=1S/C9H17N/c1-3-5-9-6-4-7-10(2)8-9/h3,5,9H,4,6-8H2,1-2H3/b5-3+.
What are the key properties of 1-methyl-3-[(E)-prop-1-enyl]piperidine?
1-methyl-3-[(E)-prop-1-enyl]piperidine has a molecular weight of 139.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(E)-prop-1-enyl]piperidine is sourced from PubChem (CID 20585175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).