(Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one

C19H27NO — CID 92531025

IUPAC(Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one
SMILESCc1ccc(/C=C\C(=O)C(C)(C)CN2CCCCC2)cc1
InChIInChI=1S/C19H27NO/c1-16-7-9-17(10-8-16)11-12-18(21)19(2,3)15-20-13-5-4-6-14-20/h7-12H,4-6,13-15H2,1-3H3/b12-11-
InChIKeyDMJPCCYONRHOHM-QXMHVHEDSA-N
MW285.43 g/mol
LogP4.09
Rot. Bonds5

About (Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one

(Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one (PubChem CID 92531025) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is (Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one.

Molecular Properties

Compound Name(Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one
PubChem CID92531025
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC Name(Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one
SMILESCc1ccc(/C=C\C(=O)C(C)(C)CN2CCCCC2)cc1
InChIInChI=1S/C19H27NO/c1-16-7-9-17(10-8-16)11-12-18(21)19(2,3)15-20-13-5-4-6-14-20/h7-12H,4-6,13-15H2,1-3H3/b12-11-
InChIKeyDMJPCCYONRHOHM-QXMHVHEDSA-N
XLogP4.09
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one?
The IUPAC name of (Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one (CID 92531025) is (Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one.
What is the SMILES notation for (Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one?
The canonical SMILES for (Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one is Cc1ccc(/C=C\C(=O)C(C)(C)CN2CCCCC2)cc1.
What is the InChIKey of (Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one?
The InChIKey is DMJPCCYONRHOHM-QXMHVHEDSA-N. The full InChI is InChI=1S/C19H27NO/c1-16-7-9-17(10-8-16)11-12-18(21)19(2,3)15-20-13-5-4-6-14-20/h7-12H,4-6,13-15H2,1-3H3/b12-11-.
What are the key properties of (Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one?
(Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one has a molecular weight of 285.43 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4,4-dimethyl-1-(4-methylphenyl)-5-piperidin-1-ylpent-1-en-3-one is sourced from PubChem (CID 92531025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).