1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one

C18H28N2O — CID 93194083

IUPAC1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1cc(C(=O)CCN2CCC(C)CC2)ccc1N(C)C
InChIInChI=1S/C18H28N2O/c1-14-7-10-20(11-8-14)12-9-18(21)16-5-6-17(19(3)4)15(2)13-16/h5-6,13-14H,7-12H2,1-4H3
InChIKeyHVMCLRSBLBXXQX-UHFFFAOYSA-N
MW288.44 g/mol
LogP3.37
Rot. Bonds5

About 1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one

1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one (PubChem CID 93194083) has the molecular formula C18H28N2O and a molecular weight of 288.44 g/mol. Its IUPAC name is 1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one
PubChem CID93194083
Molecular FormulaC18H28N2O
Molecular Weight288.44 g/mol
Exact Mass288.22
IUPAC Name1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one
SMILESCc1cc(C(=O)CCN2CCC(C)CC2)ccc1N(C)C
InChIInChI=1S/C18H28N2O/c1-14-7-10-20(11-8-14)12-9-18(21)16-5-6-17(19(3)4)15(2)13-16/h5-6,13-14H,7-12H2,1-4H3
InChIKeyHVMCLRSBLBXXQX-UHFFFAOYSA-N
XLogP3.37
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(diethylamino)-3-methylphenyl]-3-pyrrolidin-1-ylpropan-1-one
CID 93194130
1-(3-chloro-4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052845
1-(4-methoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one;hydrochloride
CID 24761516
1-(4-hexylphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82050299
3-methyl-4-[methyl(methylsulfonyl)amino]-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 50945337
3-(4-methylazepan-1-yl)-1-phenylpropan-1-one
CID 55249403
1-(3-bromophenyl)-3-(4-methylazepan-1-yl)propan-1-one
CID 63624671
1-(3-chloro-4-propoxyphenyl)-3-(4-methylpiperidin-1-yl)propan-1-one
CID 82052898
1-(4-fluoro-3-methylphenyl)-3-pyrrolidin-1-ylpropan-1-one
CID 82050231
1-[4-(dimethylamino)-3-methylphenyl]-2-propylsulfanylethanone
CID 82054341
3-(4-ethylpiperidin-1-yl)-1-(4-methylphenyl)propan-1-one
CID 62613813
1-(4-bromo-3-methylphenyl)-3-piperazin-1-ylpropan-1-one
CID 82264457

Frequently Asked Questions

What is the IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one?
The IUPAC name of 1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one (CID 93194083) is 1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one is Cc1cc(C(=O)CCN2CCC(C)CC2)ccc1N(C)C.
What is the InChIKey of 1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one?
The InChIKey is HVMCLRSBLBXXQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-14-7-10-20(11-8-14)12-9-18(21)16-5-6-17(19(3)4)15(2)13-16/h5-6,13-14H,7-12H2,1-4H3.
What are the key properties of 1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one?
1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one has a molecular weight of 288.44 g/mol, XLogP of 3.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)-3-methylphenyl]-3-(4-methylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 93194083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).