1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one

C13H24N2O — CID 110708612

IUPAC1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H24N2O/c1-11(2)9-13(16)15-7-5-14(6-8-15)10-12-3-4-12/h11-12H,3-10H2,1-2H3
InChIKeyUZTRFLJMTWLJDR-UHFFFAOYSA-N
MW224.35 g/mol
LogP1.59
Rot. Bonds4

About 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one

1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one (PubChem CID 110708612) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
PubChem CID110708612
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one
SMILESCC(C)CC(=O)N1CCN(CC2CC2)CC1
InChIInChI=1S/C13H24N2O/c1-11(2)9-13(16)15-7-5-14(6-8-15)10-12-3-4-12/h11-12H,3-10H2,1-2H3
InChIKeyUZTRFLJMTWLJDR-UHFFFAOYSA-N
XLogP1.59
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methyl-5-oxopentanoic acid
CID 55157332
3-methyl-1-[4-(morpholin-4-ylmethyl)piperidin-1-yl]butan-1-one
CID 110284682
1-[4-(cyclohex-3-en-1-ylmethyl)piperazin-1-yl]-3-methylbutan-1-one
CID 3145138
3-amino-1-[4-(cyclohexylmethyl)-1,4-diazepan-1-yl]butan-1-one
CID 119859721
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119855915
1-[4-(aminomethyl)piperidin-1-yl]-3-methylbutan-1-one
CID 28706724
3-methyl-1-[4-[(4-propan-2-ylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one
CID 178000232
ethane;3-methyl-1-[4-[(4-methylpiperazin-1-yl)methyl]piperazin-1-yl]butan-1-one
CID 178000239
3-methyl-1-[3-(piperazin-1-ylmethyl)piperidin-1-yl]butan-1-one
CID 82023385
1-[4-[(1-ethylpiperidin-4-yl)methyl]piperidin-1-yl]-3-methylbutan-1-one
CID 178000194
3-amino-1-[4-(oxolan-3-ylmethyl)piperazin-1-yl]butan-1-one;dihydrochloride
CID 119897543
1-(cyclopropylmethyl)-4-(2-methylpropyl)piperazine
CID 59603480

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one (CID 110708612) is 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one is CC(C)CC(=O)N1CCN(CC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one?
The InChIKey is UZTRFLJMTWLJDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-11(2)9-13(16)15-7-5-14(6-8-15)10-12-3-4-12/h11-12H,3-10H2,1-2H3.
What are the key properties of 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one?
1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one has a molecular weight of 224.35 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethyl)piperazin-1-yl]-3-methylbutan-1-one is sourced from PubChem (CID 110708612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).