1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine

C18H29N3 — CID 23383617

IUPAC1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
SMILESCCN1CCN(C2CCN(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C18H29N3/c1-3-19-12-14-21(15-13-19)18-8-10-20(11-9-18)17-6-4-16(2)5-7-17/h4-7,18H,3,8-15H2,1-2H3
InChIKeyXHEZWBFUWHXBBC-UHFFFAOYSA-N
MW287.45 g/mol
LogP2.60
Rot. Bonds3

About 1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine

1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine (PubChem CID 23383617) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine.

Molecular Properties

Compound Name1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
PubChem CID23383617
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine
SMILESCCN1CCN(C2CCN(c3ccc(C)cc3)CC2)CC1
InChIInChI=1S/C18H29N3/c1-3-19-12-14-21(15-13-19)18-8-10-20(11-9-18)17-6-4-16(2)5-7-17/h4-7,18H,3,8-15H2,1-2H3
InChIKeyXHEZWBFUWHXBBC-UHFFFAOYSA-N
XLogP2.60
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 52.60
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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Related Compounds

1-cyclohexyl-4-(4-methylphenyl)piperazine
CID 20655127
ethane;1-ethyl-4-(4-methylphenyl)-1,4-diazepane
CID 177351014
1,4-dimethylcyclohexane;1-ethyl-4-(4-ethylphenyl)piperazine;1,4-xylene
CID 167661867
1-(1-ethylpiperidin-4-yl)-4-(4-nitrophenyl)piperazine
CID 30983093
1-(1,3-diethylpiperidin-4-yl)-4-(4-methylphenyl)piperazine
CID 54190544
4-butyl-1-(4-methylphenyl)piperidine
CID 54491585
1-(4-ethylphenyl)-4-piperidin-1-ylpiperidine
CID 59545859
1-(3-methylcyclopentyl)-4-(4-methylphenyl)piperazine
CID 2845220
[1-[1-[4-(4-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]methanamine
CID 45184102
sodium 4-(4-ethylpiperazin-1-yl)benzenethiolate
CID 163265369
1-cyclohexyl-4-ethylpiperazine;hydrochloride
CID 44598236
1-ethyl-4-(4-methylcyclohexyl)piperazine
CID 784289

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine?
The IUPAC name of 1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine (CID 23383617) is 1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine.
What is the SMILES notation for 1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine?
The canonical SMILES for 1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine is CCN1CCN(C2CCN(c3ccc(C)cc3)CC2)CC1.
What is the InChIKey of 1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine?
The InChIKey is XHEZWBFUWHXBBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-3-19-12-14-21(15-13-19)18-8-10-20(11-9-18)17-6-4-16(2)5-7-17/h4-7,18H,3,8-15H2,1-2H3.
What are the key properties of 1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine?
1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine has a molecular weight of 287.45 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[1-(4-methylphenyl)piperidin-4-yl]piperazine is sourced from PubChem (CID 23383617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).