1-(cyclohex-3-en-1-ylmethyl)piperidine

C12H21N — CID 18427142

IUPAC1-(cyclohex-3-en-1-ylmethyl)piperidine
SMILESC1=CCC(CN2CCCCC2)CC1
InChIInChI=1S/C12H21N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3,12H,2,4-11H2
InChIKeyFPBLAPBFWKRYBI-UHFFFAOYSA-N
MW179.31 g/mol
LogP2.83
Rot. Bonds2

About 1-(cyclohex-3-en-1-ylmethyl)piperidine

1-(cyclohex-3-en-1-ylmethyl)piperidine (PubChem CID 18427142) has the molecular formula C12H21N and a molecular weight of 179.31 g/mol. Its IUPAC name is 1-(cyclohex-3-en-1-ylmethyl)piperidine.

Molecular Properties

Compound Name1-(cyclohex-3-en-1-ylmethyl)piperidine
PubChem CID18427142
Molecular FormulaC12H21N
Molecular Weight179.31 g/mol
Exact Mass179.17
IUPAC Name1-(cyclohex-3-en-1-ylmethyl)piperidine
SMILESC1=CCC(CN2CCCCC2)CC1
InChIInChI=1S/C12H21N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3,12H,2,4-11H2
InChIKeyFPBLAPBFWKRYBI-UHFFFAOYSA-N
XLogP2.83
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.31
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)piperidine?
The IUPAC name of 1-(cyclohex-3-en-1-ylmethyl)piperidine (CID 18427142) is 1-(cyclohex-3-en-1-ylmethyl)piperidine.
What is the SMILES notation for 1-(cyclohex-3-en-1-ylmethyl)piperidine?
The canonical SMILES for 1-(cyclohex-3-en-1-ylmethyl)piperidine is C1=CCC(CN2CCCCC2)CC1.
What is the InChIKey of 1-(cyclohex-3-en-1-ylmethyl)piperidine?
The InChIKey is FPBLAPBFWKRYBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N/c1-3-7-12(8-4-1)11-13-9-5-2-6-10-13/h1,3,12H,2,4-11H2.
What are the key properties of 1-(cyclohex-3-en-1-ylmethyl)piperidine?
1-(cyclohex-3-en-1-ylmethyl)piperidine has a molecular weight of 179.31 g/mol, XLogP of 2.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohex-3-en-1-ylmethyl)piperidine is sourced from PubChem (CID 18427142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).