2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine

C18H29N3 — CID 64940217

IUPAC2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine
SMILESCC1CNC(C)(C)CN1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H29N3/c1-15-13-19-18(2,3)14-21(15)17-9-7-16(8-10-17)20-11-5-4-6-12-20/h7-10,15,19H,4-6,11-14H2,1-3H3
InChIKeyGVXSUJXJQCFNKA-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.25
Rot. Bonds2

About 2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine

2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine (PubChem CID 64940217) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine.

Molecular Properties

Compound Name2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine
PubChem CID64940217
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine
SMILESCC1CNC(C)(C)CN1c1ccc(N2CCCCC2)cc1
InChIInChI=1S/C18H29N3/c1-15-13-19-18(2,3)14-21(15)17-9-7-16(8-10-17)20-11-5-4-6-12-20/h7-10,15,19H,4-6,11-14H2,1-3H3
InChIKeyGVXSUJXJQCFNKA-UHFFFAOYSA-N
XLogP3.25
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-[4-(2,5,5-trimethylpiperazin-1-yl)phenyl]morpholine
CID 64941183
1-(4-iodophenyl)-2,5,5-trimethylpiperazine
CID 64935112
1-(4-tert-butylphenyl)-2,5,5-trimethylpiperazine
CID 64930174
2-methyl-1-(4-piperidin-1-ylphenyl)piperazine
CID 64931724
3,3-dimethyl-1-(4-pyrrolidin-1-ylphenyl)-1,4-diazepane
CID 64950782
1-(3-bromo-4-methylphenyl)-2,5,5-trimethylpiperazine
CID 64940433
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,5,5-trimethylpiperazine
CID 64930962
1,16-diazatricyclo[14.14.4.231,34]hexatriaconta-31,33,35-triene
CID 177496449
3-(2,5,5-trimethylpiperazin-1-yl)quinoline
CID 64939799
(1R,5S)-9,9-dimethyl-6-(4-piperidin-1-ylphenyl)-3,6-diazabicyclo[3.2.2]nonane
CID 163653681
9-(4-chlorophenyl)-8-methyl-6,9-diazaspiro[4.5]decane
CID 64933705
8-methyl-9-(4-methylsulfanylphenyl)-6,9-diazaspiro[4.5]decane
CID 64934883

Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine?
The IUPAC name of 2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine (CID 64940217) is 2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine.
What is the SMILES notation for 2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine?
The canonical SMILES for 2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine is CC1CNC(C)(C)CN1c1ccc(N2CCCCC2)cc1.
What is the InChIKey of 2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine?
The InChIKey is GVXSUJXJQCFNKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-15-13-19-18(2,3)14-21(15)17-9-7-16(8-10-17)20-11-5-4-6-12-20/h7-10,15,19H,4-6,11-14H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine?
2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine has a molecular weight of 287.45 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-1-(4-piperidin-1-ylphenyl)piperazine is sourced from PubChem (CID 64940217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).