4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine

C32H37N — CID 91748313

IUPAC4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine
SMILESCC(C)(C)c1ccc(/C=C\CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H37N/c1-32(2,3)30-19-17-26(18-20-30)12-10-11-23-33-24-21-29(22-25-33)31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-10,12-20H,11,21-25H2,1-3H3/b12-10-
InChIKeyXTBJPNHHVAIUJX-BENRWUELSA-N
MW435.66 g/mol
LogP7.99
Rot. Bonds6

About 4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine

4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine (PubChem CID 91748313) has the molecular formula C32H37N and a molecular weight of 435.66 g/mol. Its IUPAC name is 4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine.

Molecular Properties

Compound Name4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine
PubChem CID91748313
Molecular FormulaC32H37N
Molecular Weight435.66 g/mol
Exact Mass435.29
IUPAC Name4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine
SMILESCC(C)(C)c1ccc(/C=C\CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1
InChIInChI=1S/C32H37N/c1-32(2,3)30-19-17-26(18-20-30)12-10-11-23-33-24-21-29(22-25-33)31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-10,12-20H,11,21-25H2,1-3H3/b12-10-
InChIKeyXTBJPNHHVAIUJX-BENRWUELSA-N
XLogP7.99
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.66
LogP ≤ 57.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine?
The IUPAC name of 4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine (CID 91748313) is 4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine.
What is the SMILES notation for 4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine?
The canonical SMILES for 4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine is CC(C)(C)c1ccc(/C=C\CCN2CCC(=C(c3ccccc3)c3ccccc3)CC2)cc1.
What is the InChIKey of 4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine?
The InChIKey is XTBJPNHHVAIUJX-BENRWUELSA-N. The full InChI is InChI=1S/C32H37N/c1-32(2,3)30-19-17-26(18-20-30)12-10-11-23-33-24-21-29(22-25-33)31(27-13-6-4-7-14-27)28-15-8-5-9-16-28/h4-10,12-20H,11,21-25H2,1-3H3/b12-10-.
What are the key properties of 4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine?
4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine has a molecular weight of 435.66 g/mol, XLogP of 7.99, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzhydrylidene-1-[(Z)-4-(4-tert-butylphenyl)but-3-enyl]piperidine is sourced from PubChem (CID 91748313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).