(4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride

C16H23ClN2O — CID 6603632

IUPAC(4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride
SMILESCl.O=C(C1CCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O.ClH/c19-16(15-7-4-8-15)18-11-9-17(10-12-18)13-14-5-2-1-3-6-14;/h1-3,5-6,15H,4,7-13H2;1H
InChIKeyMTNUQZAFVPRYJP-UHFFFAOYSA-N
MW294.83 g/mol
LogP2.55
Rot. Bonds3

About (4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride

(4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride (PubChem CID 6603632) has the molecular formula C16H23ClN2O and a molecular weight of 294.83 g/mol. Its IUPAC name is (4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride.

Molecular Properties

Compound Name(4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride
PubChem CID6603632
Molecular FormulaC16H23ClN2O
Molecular Weight294.83 g/mol
Exact Mass294.15
IUPAC Name(4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride
SMILESCl.O=C(C1CCC1)N1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C16H22N2O.ClH/c19-16(15-7-4-8-15)18-11-9-17(10-12-18)13-14-5-2-1-3-6-14;/h1-3,5-6,15H,4,7-13H2;1H
InChIKeyMTNUQZAFVPRYJP-UHFFFAOYSA-N
XLogP2.55
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.83
LogP ≤ 52.55
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)-cyclobutylmethanone;hydrochloride?
The IUPAC name of (4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride (CID 6603632) is (4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride.
What is the SMILES notation for (4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride?
The canonical SMILES for (4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride is Cl.O=C(C1CCC1)N1CCN(Cc2ccccc2)CC1.
What is the InChIKey of (4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride?
The InChIKey is MTNUQZAFVPRYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O.ClH/c19-16(15-7-4-8-15)18-11-9-17(10-12-18)13-14-5-2-1-3-6-14;/h1-3,5-6,15H,4,7-13H2;1H.
What are the key properties of (4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride?
(4-benzylpiperazin-1-yl)-cyclobutylmethanone;hydrochloride has a molecular weight of 294.83 g/mol, XLogP of 2.55, 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)-cyclobutylmethanone;hydrochloride is sourced from PubChem (CID 6603632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).