[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

C17H26N4O — CID 66712036

IUPAC[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(c3ccc(N)cc3)CC2)CC1
InChIInChI=1S/C17H26N4O/c1-19-10-12-21(13-11-19)17(22)20-8-6-15(7-9-20)14-2-4-16(18)5-3-14/h2-5,15H,6-13,18H2,1H3
InChIKeyLUUUXZQDEPHCKR-UHFFFAOYSA-N
MW302.42 g/mol
LogP1.82
Rot. Bonds1

About [4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone

[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 66712036) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is [4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
PubChem CID66712036
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)N2CCC(c3ccc(N)cc3)CC2)CC1
InChIInChI=1S/C17H26N4O/c1-19-10-12-21(13-11-19)17(22)20-8-6-15(7-9-20)14-2-4-16(18)5-3-14/h2-5,15H,6-13,18H2,1H3
InChIKeyLUUUXZQDEPHCKR-UHFFFAOYSA-N
XLogP1.82
TPSA52.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone (CID 66712036) is [4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)N2CCC(c3ccc(N)cc3)CC2)CC1.
What is the InChIKey of [4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is LUUUXZQDEPHCKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-19-10-12-21(13-11-19)17(22)20-8-6-15(7-9-20)14-2-4-16(18)5-3-14/h2-5,15H,6-13,18H2,1H3.
What are the key properties of [4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone?
[4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 302.42 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-aminophenyl)piperidin-1-yl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 66712036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).