(4-benzylpiperazin-1-yl)-cyclopropylmethanone

C15H20N2O — CID 1220050

IUPAC(4-benzylpiperazin-1-yl)-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c18-15(14-6-7-14)17-10-8-16(9-11-17)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyAEBGEBIEWOEWKN-UHFFFAOYSA-N
MW244.34 g/mol
LogP1.74
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-cyclopropylmethanone

(4-benzylpiperazin-1-yl)-cyclopropylmethanone (PubChem CID 1220050) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-cyclopropylmethanone
PubChem CID1220050
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name(4-benzylpiperazin-1-yl)-cyclopropylmethanone
SMILESO=C(C1CC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C15H20N2O/c18-15(14-6-7-14)17-10-8-16(9-11-17)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2
InChIKeyAEBGEBIEWOEWKN-UHFFFAOYSA-N
XLogP1.74
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-benzylpiperazin-1-yl)-cyclopropylmethanone?
The IUPAC name of (4-benzylpiperazin-1-yl)-cyclopropylmethanone (CID 1220050) is (4-benzylpiperazin-1-yl)-cyclopropylmethanone.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-cyclopropylmethanone?
The canonical SMILES for (4-benzylpiperazin-1-yl)-cyclopropylmethanone is O=C(C1CC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-cyclopropylmethanone?
The InChIKey is AEBGEBIEWOEWKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c18-15(14-6-7-14)17-10-8-16(9-11-17)12-13-4-2-1-3-5-13/h1-5,14H,6-12H2.
What are the key properties of (4-benzylpiperazin-1-yl)-cyclopropylmethanone?
(4-benzylpiperazin-1-yl)-cyclopropylmethanone has a molecular weight of 244.34 g/mol, XLogP of 1.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-benzylpiperazin-1-yl)-cyclopropylmethanone is sourced from PubChem (CID 1220050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).