[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone

C18H27N3O — CID 119946184

IUPAC[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)C2(C)CCCNC2)CC1
InChIInChI=1S/C18H27N3O/c1-15-6-3-4-7-16(15)20-10-12-21(13-11-20)17(22)18(2)8-5-9-19-14-18/h3-4,6-7,19H,5,8-14H2,1-2H3
InChIKeyNKJJJKHJHFYKBA-UHFFFAOYSA-N
MW301.43 g/mol
LogP2.03
Rot. Bonds2

About [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone

[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone (PubChem CID 119946184) has the molecular formula C18H27N3O and a molecular weight of 301.43 g/mol. Its IUPAC name is [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone.

Molecular Properties

Compound Name[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
PubChem CID119946184
Molecular FormulaC18H27N3O
Molecular Weight301.43 g/mol
Exact Mass301.22
IUPAC Name[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone
SMILESCc1ccccc1N1CCN(C(=O)C2(C)CCCNC2)CC1
InChIInChI=1S/C18H27N3O/c1-15-6-3-4-7-16(15)20-10-12-21(13-11-20)17(22)18(2)8-5-9-19-14-18/h3-4,6-7,19H,5,8-14H2,1-2H3
InChIKeyNKJJJKHJHFYKBA-UHFFFAOYSA-N
XLogP2.03
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The IUPAC name of [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone (CID 119946184) is [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone.
What is the SMILES notation for [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The canonical SMILES for [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone is Cc1ccccc1N1CCN(C(=O)C2(C)CCCNC2)CC1.
What is the InChIKey of [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
The InChIKey is NKJJJKHJHFYKBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O/c1-15-6-3-4-7-16(15)20-10-12-21(13-11-20)17(22)18(2)8-5-9-19-14-18/h3-4,6-7,19H,5,8-14H2,1-2H3.
What are the key properties of [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone?
[4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone has a molecular weight of 301.43 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methylphenyl)piperazin-1-yl]-(3-methylpiperidin-3-yl)methanone is sourced from PubChem (CID 119946184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).