4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine

C22H29N — CID 141314333

IUPAC4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine
SMILESCC1(C)C2C=C(c3ccccc3C=C3CCNCC3)[C@]1(C)CC2
InChIInChI=1S/C22H29N/c1-21(2)18-8-11-22(21,3)20(15-18)19-7-5-4-6-17(19)14-16-9-12-23-13-10-16/h4-7,14-15,18,23H,8-13H2,1-3H3/t18?,22-/m0/s1
InChIKeyARPGBESTRXXSBU-YSYXNDDBSA-N
MW307.48 g/mol
LogP5.29
Rot. Bonds2

About 4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine

4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine (PubChem CID 141314333) has the molecular formula C22H29N and a molecular weight of 307.48 g/mol. Its IUPAC name is 4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine.

Molecular Properties

Compound Name4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine
PubChem CID141314333
Molecular FormulaC22H29N
Molecular Weight307.48 g/mol
Exact Mass307.23
IUPAC Name4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine
SMILESCC1(C)C2C=C(c3ccccc3C=C3CCNCC3)[C@]1(C)CC2
InChIInChI=1S/C22H29N/c1-21(2)18-8-11-22(21,3)20(15-18)19-7-5-4-6-17(19)14-16-9-12-23-13-10-16/h4-7,14-15,18,23H,8-13H2,1-3H3/t18?,22-/m0/s1
InChIKeyARPGBESTRXXSBU-YSYXNDDBSA-N
XLogP5.29
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.48
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine?
The IUPAC name of 4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine (CID 141314333) is 4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine.
What is the SMILES notation for 4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine?
The canonical SMILES for 4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine is CC1(C)C2C=C(c3ccccc3C=C3CCNCC3)[C@]1(C)CC2.
What is the InChIKey of 4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine?
The InChIKey is ARPGBESTRXXSBU-YSYXNDDBSA-N. The full InChI is InChI=1S/C22H29N/c1-21(2)18-8-11-22(21,3)20(15-18)19-7-5-4-6-17(19)14-16-9-12-23-13-10-16/h4-7,14-15,18,23H,8-13H2,1-3H3/t18?,22-/m0/s1.
What are the key properties of 4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine?
4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine has a molecular weight of 307.48 g/mol, XLogP of 5.29, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1R)-1,7,7-trimethyl-2-bicyclo[2.2.1]hept-2-enyl]phenyl]methylidene]piperidine is sourced from PubChem (CID 141314333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).