1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine

C20H33N3 — CID 54190544

IUPAC1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine
SMILESCCC1CN(CC)CCC1N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C20H33N3/c1-4-18-16-21(5-2)11-10-20(18)23-14-12-22(13-15-23)19-8-6-17(3)7-9-19/h6-9,18,20H,4-5,10-16H2,1-3H3
InChIKeyPIEYONCBTRFADC-UHFFFAOYSA-N
MW315.50 g/mol
LogP3.24
Rot. Bonds4

About 1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine

1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine (PubChem CID 54190544) has the molecular formula C20H33N3 and a molecular weight of 315.50 g/mol. Its IUPAC name is 1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine.

Molecular Properties

Compound Name1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine
PubChem CID54190544
Molecular FormulaC20H33N3
Molecular Weight315.50 g/mol
Exact Mass315.27
IUPAC Name1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine
SMILESCCC1CN(CC)CCC1N1CCN(c2ccc(C)cc2)CC1
InChIInChI=1S/C20H33N3/c1-4-18-16-21(5-2)11-10-20(18)23-14-12-22(13-15-23)19-8-6-17(3)7-9-19/h6-9,18,20H,4-5,10-16H2,1-3H3
InChIKeyPIEYONCBTRFADC-UHFFFAOYSA-N
XLogP3.24
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.50
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine?
The IUPAC name of 1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine (CID 54190544) is 1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine.
What is the SMILES notation for 1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine?
The canonical SMILES for 1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine is CCC1CN(CC)CCC1N1CCN(c2ccc(C)cc2)CC1.
What is the InChIKey of 1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine?
The InChIKey is PIEYONCBTRFADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33N3/c1-4-18-16-21(5-2)11-10-20(18)23-14-12-22(13-15-23)19-8-6-17(3)7-9-19/h6-9,18,20H,4-5,10-16H2,1-3H3.
What are the key properties of 1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine?
1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine has a molecular weight of 315.50 g/mol, XLogP of 3.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine is sourced from PubChem (CID 54190544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).