4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane

C16H29N — CID 142165813

IUPAC4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane
SMILESC1=CC2CC2C(C2CCNCC2)=C1.CC.CC
InChIInChI=1S/C12H17N.2C2H6/c1-2-10-8-12(10)11(3-1)9-4-6-13-7-5-9;2*1-2/h1-3,9-10,12-13H,4-8H2;2*1-2H3
InChIKeyQBIPAMSWLPNVNI-UHFFFAOYSA-N
MW235.41 g/mol
LogP4.17
Rot. Bonds1

About 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane

4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane (PubChem CID 142165813) has the molecular formula C16H29N and a molecular weight of 235.41 g/mol. Its IUPAC name is 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane.

Molecular Properties

Compound Name4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane
PubChem CID142165813
Molecular FormulaC16H29N
Molecular Weight235.41 g/mol
Exact Mass235.23
IUPAC Name4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane
SMILESC1=CC2CC2C(C2CCNCC2)=C1.CC.CC
InChIInChI=1S/C12H17N.2C2H6/c1-2-10-8-12(10)11(3-1)9-4-6-13-7-5-9;2*1-2/h1-3,9-10,12-13H,4-8H2;2*1-2H3
InChIKeyQBIPAMSWLPNVNI-UHFFFAOYSA-N
XLogP4.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.41
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 56633701
(3R)-2-cyclopropyl-4-[(4R)-4-fluorocyclohexen-1-yl]-3-methyl-1,2,3,7,8,8a-hexahydroquinoline
CID 122494798
3-Ethyl-3-[(6-fluorocyclohexa-1,3-dien-1-yl)methyl]piperidine
CID 123407439
4-(3-Fluoro-4-propan-2-ylcyclohexa-1,3-dien-1-yl)piperidine
CID 139409634
4-(2-Fluoro-6-methylcyclohexa-1,3-dien-1-yl)piperidine
CID 143792374
4-(Cyclohexa-1,3-dien-1-ylmethyl)-4-fluoropiperidine
CID 144477590
4-(6-Fluoro-3-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine
CID 144543254
(1aS,3aR,7bS)-3-[1-[(5R)-5-fluoro-2-propylcyclohexa-1,3-dien-1-yl]ethyl]-5,7-dimethyl-1a,2,3,3a,7a,7b-hexahydro-1H-cyclopropa[c]isoquinoline
CID 155149479
2-[(4R)-6-fluoro-2,3,4,9a-tetrahydro-1H-benzo[7]annulen-4-yl]-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
CID 163599008
2-(6-fluoro-3-bicyclo[4.1.0]hept-4-enyl)-N-methyl-1,2,6,7,8,8a-hexahydroquinolin-6-amine
CID 164121184
2-(3-Fluorocyclohexa-2,4-dien-1-yl)-5-methylpiperidine
CID 166963414
(6S)-6-[(1R)-1-(2-fluoro-6-methylcyclohexa-1,3-dien-1-yl)ethyl]-2,2-dimethylpiperidine
CID 172235541

Frequently Asked Questions

What is the IUPAC name of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane?
The IUPAC name of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane (CID 142165813) is 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane.
What is the SMILES notation for 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane?
The canonical SMILES for 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane is C1=CC2CC2C(C2CCNCC2)=C1.CC.CC.
What is the InChIKey of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane?
The InChIKey is QBIPAMSWLPNVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N.2C2H6/c1-2-10-8-12(10)11(3-1)9-4-6-13-7-5-9;2*1-2/h1-3,9-10,12-13H,4-8H2;2*1-2H3.
What are the key properties of 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane?
4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane has a molecular weight of 235.41 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bicyclo[4.1.0]hepta-2,4-dienyl)piperidine;ethane is sourced from PubChem (CID 142165813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).