ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine

C26H39N — CID 143757893

IUPACethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine
SMILESC=CC1=C(/C=C\C)C(C2CCN(C)CC2)c2ccccc2C=C1.CC.CC
InChIInChI=1S/C22H27N.2C2H6/c1-4-8-20-17(5-2)11-12-18-9-6-7-10-21(18)22(20)19-13-15-23(3)16-14-19;2*1-2/h4-12,19,22H,2,13-16H2,1,3H3;2*1-2H3/b8-4-;;
InChIKeyHDUWFDFLZKEGKD-QSELPZCXSA-N
MW365.61 g/mol
LogP7.25
Rot. Bonds3

About ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine

ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine (PubChem CID 143757893) has the molecular formula C26H39N and a molecular weight of 365.61 g/mol. Its IUPAC name is ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine.

Molecular Properties

Compound Nameethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine
PubChem CID143757893
Molecular FormulaC26H39N
Molecular Weight365.61 g/mol
Exact Mass365.31
IUPAC Nameethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine
SMILESC=CC1=C(/C=C\C)C(C2CCN(C)CC2)c2ccccc2C=C1.CC.CC
InChIInChI=1S/C22H27N.2C2H6/c1-4-8-20-17(5-2)11-12-18-9-6-7-10-21(18)22(20)19-13-15-23(3)16-14-19;2*1-2/h4-12,19,22H,2,13-16H2,1,3H3;2*1-2H3/b8-4-;;
InChIKeyHDUWFDFLZKEGKD-QSELPZCXSA-N
XLogP7.25
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.61
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5Z,7E)-7,8-bis(ethenyl)-10-methyl-9,10-dihydrobenzo[8]annulene;ethane
CID 144657359
1-methyl-4-(9H-xanthen-9-yl)piperidine
CID 14175797
(7Z,9Z)-7,8-bis(ethenyl)-6-methoxy-5,6-dihydrobenzo[8]annulene
CID 170701012
2-cyclohexyltricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene
CID 134854212
1-tert-butyl-4-[5-[(2-methylpropan-2-yl)oxy]-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl]piperidine
CID 54370589
azane;(3Z,5Z)-3,4-bis(ethenyl)-2-methyl-1H-2-benzazocine
CID 142611226
15,16-bis(prop-1-enyl)tetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13,15-heptaene
CID 91599001
ethane;6-ethenyl-5-methyl-7-[(Z)-prop-1-enyl]-8,9-dihydro-5H-benzo[7]annulene
CID 142216483
4-(5-chloro-2-tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,9,11,13-heptaenyl)-1-hexylpiperidine
CID 54339671
3-methyl-2,4,4a,10b-tetrahydro-1H-benzo[f]isoquinoline
CID 12851047
bicyclo[4.2.0]octa-1,3,5,7-tetraene;prop-1-ene
CID 174841145
1-[3-(2H-tetrazol-5-yl)propyl]-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)piperidine
CID 67760687

Frequently Asked Questions

What is the IUPAC name of ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine?
The IUPAC name of ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine (CID 143757893) is ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine.
What is the SMILES notation for ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine?
The canonical SMILES for ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine is C=CC1=C(/C=C\C)C(C2CCN(C)CC2)c2ccccc2C=C1.CC.CC.
What is the InChIKey of ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine?
The InChIKey is HDUWFDFLZKEGKD-QSELPZCXSA-N. The full InChI is InChI=1S/C22H27N.2C2H6/c1-4-8-20-17(5-2)11-12-18-9-6-7-10-21(18)22(20)19-13-15-23(3)16-14-19;2*1-2/h4-12,19,22H,2,13-16H2,1,3H3;2*1-2H3/b8-4-;;.
What are the key properties of ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine?
ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine has a molecular weight of 365.61 g/mol, XLogP of 7.25, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;4-[7-ethenyl-6-[(Z)-prop-1-enyl]-5H-benzo[7]annulen-5-yl]-1-methylpiperidine is sourced from PubChem (CID 143757893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).