1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one

C18H28N2O — CID 10827239

IUPAC1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
SMILESCN1CCN(C(=O)CCCCCCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-19-13-15-20(16-14-19)18(21)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11H,2-3,5,8-9,12-16H2,1H3
InChIKeyDXXHVPZXTQRCDL-UHFFFAOYSA-N
MW288.43 g/mol
LogP2.95
Rot. Bonds7

About 1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one

1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one (PubChem CID 10827239) has the molecular formula C18H28N2O and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one.

Molecular Properties

Compound Name1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
PubChem CID10827239
Molecular FormulaC18H28N2O
Molecular Weight288.43 g/mol
Exact Mass288.22
IUPAC Name1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one
SMILESCN1CCN(C(=O)CCCCCCc2ccccc2)CC1
InChIInChI=1S/C18H28N2O/c1-19-13-15-20(16-14-19)18(21)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11H,2-3,5,8-9,12-16H2,1H3
InChIKeyDXXHVPZXTQRCDL-UHFFFAOYSA-N
XLogP2.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-methylpiperazin-1-yl)-11-phenylundecan-1-one
CID 10545423
ethane;1-(4-methylpiperazin-1-yl)-3-phenylpropan-1-one
CID 90907944
11-phenyl-1-pyrrolidin-1-ylundecan-1-one
CID 10805309
13-(4-methoxyphenyl)-1-(4-methylpiperazin-1-yl)tridecan-1-one
CID 10716127
tert-butyl 4-(5-phenylpentanoyl)piperazine-1-carboxylate
CID 110312066
1-[4-(1-methylimidazol-2-yl)piperazin-1-yl]-4-phenylbutan-1-one;hydrochloride
CID 45284165
N-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-N-(3-phenylpropyl)acetamide
CID 113165787
1-[4-(3,3-dimethylbutyl)piperazin-1-yl]-4-phenylbutan-1-one
CID 60539533
6-phenyl-1-(4,5,7,8-tetrahydrofuro[2,3-d]azepin-6-yl)hexan-1-one
CID 19600053
1-[4-(3-methylbenzoyl)piperazin-1-yl]-5-phenylpentan-1-one
CID 110311046
1-(4-methylpiperidin-1-yl)-4-phenylbutan-1-one
CID 1122148
3-(benzylamino)-1-(4-methylpiperazin-1-yl)propan-1-one
CID 91054439

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one?
The IUPAC name of 1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one (CID 10827239) is 1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one.
What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one?
The canonical SMILES for 1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one is CN1CCN(C(=O)CCCCCCc2ccccc2)CC1.
What is the InChIKey of 1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one?
The InChIKey is DXXHVPZXTQRCDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O/c1-19-13-15-20(16-14-19)18(21)12-8-3-2-5-9-17-10-6-4-7-11-17/h4,6-7,10-11H,2-3,5,8-9,12-16H2,1H3.
What are the key properties of 1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one?
1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one has a molecular weight of 288.43 g/mol, XLogP of 2.95, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylpiperazin-1-yl)-7-phenylheptan-1-one is sourced from PubChem (CID 10827239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).