2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one

C19H30N2O — CID 110399044

IUPAC2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(C)c1ccc(CN2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-15(2)17-8-6-16(7-9-17)14-20-10-12-21(13-11-20)18(22)19(3,4)5/h6-9,15H,10-14H2,1-5H3
InChIKeyXANLHSCLUMBSBC-UHFFFAOYSA-N
MW302.46 g/mol
LogP3.50
Rot. Bonds3

About 2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one

2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one (PubChem CID 110399044) has the molecular formula C19H30N2O and a molecular weight of 302.46 g/mol. Its IUPAC name is 2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
PubChem CID110399044
Molecular FormulaC19H30N2O
Molecular Weight302.46 g/mol
Exact Mass302.24
IUPAC Name2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one
SMILESCC(C)c1ccc(CN2CCN(C(=O)C(C)(C)C)CC2)cc1
InChIInChI=1S/C19H30N2O/c1-15(2)17-8-6-16(7-9-17)14-20-10-12-21(13-11-20)18(22)19(3,4)5/h6-9,15H,10-14H2,1-5H3
InChIKeyXANLHSCLUMBSBC-UHFFFAOYSA-N
XLogP3.50
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-[(3-chloro-4-methylphenyl)methyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 129255637
2-methylpropyl 4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carboxylate
CID 171072925
3-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propanoic acid
CID 43396140
1-piperidin-1-yl-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethanone
CID 9208442
4-[(4-chlorophenyl)methyl]-N-(4-propan-2-ylphenyl)piperazine-1-carboxamide
CID 113107881
methyl 5-[4-[(4-propan-2-ylphenyl)methyl]piperazine-1-carbonyl]thiophene-2-carboxylate
CID 38770782
4-[[4-[2-(4-propan-2-ylanilino)ethyl]phenyl]methyl]piperazine-1-carboxylic acid
CID 70944767
1-[(4-propan-2-ylphenyl)methyl]azetidine
CID 58279197
1-[4-[2-(4-chlorophenyl)ethyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113074562
2-[2-oxo-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]ethyl]sulfanylacetonitrile
CID 122132924
[3-methyl-1-oxo-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]butan-2-yl]urea
CID 51177681
N-[(2R)-3-methylbutan-2-yl]-2-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]acetamide
CID 8710475

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one?
The IUPAC name of 2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one (CID 110399044) is 2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one.
What is the SMILES notation for 2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one?
The canonical SMILES for 2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one is CC(C)c1ccc(CN2CCN(C(=O)C(C)(C)C)CC2)cc1.
What is the InChIKey of 2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one?
The InChIKey is XANLHSCLUMBSBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O/c1-15(2)17-8-6-16(7-9-17)14-20-10-12-21(13-11-20)18(22)19(3,4)5/h6-9,15H,10-14H2,1-5H3.
What are the key properties of 2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one?
2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one has a molecular weight of 302.46 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110399044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).