4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine

C13H19N — CID 142275876

IUPAC4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine
SMILESC1=CC2CC2(CC2CCNCC2)C=C1
InChIInChI=1S/C13H19N/c1-2-6-13(10-12(13)3-1)9-11-4-7-14-8-5-11/h1-3,6,11-12,14H,4-5,7-10H2
InChIKeyVCPIQMRVGRRJKA-UHFFFAOYSA-N
MW189.30 g/mol
LogP2.51
Rot. Bonds2

About 4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine

4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine (PubChem CID 142275876) has the molecular formula C13H19N and a molecular weight of 189.30 g/mol. Its IUPAC name is 4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine.

Molecular Properties

Compound Name4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine
PubChem CID142275876
Molecular FormulaC13H19N
Molecular Weight189.30 g/mol
Exact Mass189.15
IUPAC Name4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine
SMILESC1=CC2CC2(CC2CCNCC2)C=C1
InChIInChI=1S/C13H19N/c1-2-6-13(10-12(13)3-1)9-11-4-7-14-8-5-11/h1-3,6,11-12,14H,4-5,7-10H2
InChIKeyVCPIQMRVGRRJKA-UHFFFAOYSA-N
XLogP2.51
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-Azaspiro[5.5]undec-8-ene
CID 13106448
3-Ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
CID 123407439
1-[1-[(4-fluoro-1-bicyclo[4.1.0]hepta-2,4-dienyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 145081384
4-[(2-Fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
CID 153361056
3-(5-Fluoro-5-methylcyclohexa-1,3-dien-1-yl)-3-propan-2-ylpiperidine
CID 168178805
Spiro[1,2,7,7a-tetrahydroindene-3,4'-piperidine]
CID 18467072
5-Azatricyclo[9.4.0.02,7]pentadeca-8,12,14-triene
CID 19787957
2-Azaspiro-[5.5]-undec-7-ene
CID 20403147
4-(Cyclohex-3-en-1-yl)piperidine
CID 20488517
3-Azaspiro[5.5]undec-10-ene
CID 20521852
Spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine];hydrochloride
CID 22357493
Spiro[1,2,6,7-tetrahydroindene-3,4'-piperidine]
CID 22357494

Frequently Asked Questions

What is the IUPAC name of 4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine?
The IUPAC name of 4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine (CID 142275876) is 4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine.
What is the SMILES notation for 4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine?
The canonical SMILES for 4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine is C1=CC2CC2(CC2CCNCC2)C=C1.
What is the InChIKey of 4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine?
The InChIKey is VCPIQMRVGRRJKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N/c1-2-6-13(10-12(13)3-1)9-11-4-7-14-8-5-11/h1-3,6,11-12,14H,4-5,7-10H2.
What are the key properties of 4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine?
4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine has a molecular weight of 189.30 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-bicyclo[4.1.0]hepta-2,4-dienylmethyl)piperidine is sourced from PubChem (CID 142275876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).