(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone

C12H22N2O — CID 58584463

IUPAC(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)12(4-5-12)11(15)14-8-6-13(3)7-9-14/h10H,4-9H2,1-3H3
InChIKeyWUKJQKKUMOSVJD-UHFFFAOYSA-N
MW210.32 g/mol
LogP1.20
Rot. Bonds2

About (4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone

(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone (PubChem CID 58584463) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone.

Molecular Properties

Compound Name(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
PubChem CID58584463
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone
SMILESCC(C)C1(C(=O)N2CCN(C)CC2)CC1
InChIInChI=1S/C12H22N2O/c1-10(2)12(4-5-12)11(15)14-8-6-13(3)7-9-14/h10H,4-9H2,1-3H3
InChIKeyWUKJQKKUMOSVJD-UHFFFAOYSA-N
XLogP1.20
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
The IUPAC name of (4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone (CID 58584463) is (4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone.
What is the SMILES notation for (4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
The canonical SMILES for (4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone is CC(C)C1(C(=O)N2CCN(C)CC2)CC1.
What is the InChIKey of (4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
The InChIKey is WUKJQKKUMOSVJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-10(2)12(4-5-12)11(15)14-8-6-13(3)7-9-14/h10H,4-9H2,1-3H3.
What are the key properties of (4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone?
(4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone has a molecular weight of 210.32 g/mol, XLogP of 1.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylpiperazin-1-yl)-(1-propan-2-ylcyclopropyl)methanone is sourced from PubChem (CID 58584463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).