2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine

C18H31N3 — CID 64861984

IUPAC2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCCC1(CC)CN(Cc2cccnc2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H31N3/c1-6-18(7-2)14-21(13-15-9-8-10-19-11-15)16(12-20-18)17(3,4)5/h8-11,16,20H,6-7,12-14H2,1-5H3
InChIKeyVCPXAYVKPAZSEX-UHFFFAOYSA-N
MW289.47 g/mol
LogP3.46
Rot. Bonds4

About 2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine

2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine (PubChem CID 64861984) has the molecular formula C18H31N3 and a molecular weight of 289.47 g/mol. Its IUPAC name is 2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine.

Molecular Properties

Compound Name2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine
PubChem CID64861984
Molecular FormulaC18H31N3
Molecular Weight289.47 g/mol
Exact Mass289.25
IUPAC Name2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine
SMILESCCC1(CC)CN(Cc2cccnc2)C(C(C)(C)C)CN1
InChIInChI=1S/C18H31N3/c1-6-18(7-2)14-21(13-15-9-8-10-19-11-15)16(12-20-18)17(3,4)5/h8-11,16,20H,6-7,12-14H2,1-5H3
InChIKeyVCPXAYVKPAZSEX-UHFFFAOYSA-N
XLogP3.46
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.47
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5,5-diethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64860612
1-[(3-bromothiophen-2-yl)methyl]-2-tert-butyl-5,5-diethylpiperazine
CID 64859676
8,8-diethyl-6-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64860083
8-ethyl-9-(pyridin-3-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64876595
2-tert-butyl-5,5-dimethyl-1-[(1-methylpyrazol-4-yl)methyl]piperazine
CID 64840094
1-benzyl-5,5-diethyl-2-methylpiperazine
CID 64862341
3,3,7-trimethyl-1-(pyridin-3-ylmethyl)-1,4-diazepane
CID 64870204
2-tert-butyl-5,5-diethyl-1-(2-thiophen-3-ylethyl)piperazine
CID 64860254
5-tert-butyl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine
CID 64843393
3-[(3-tert-butylazetidin-1-yl)methyl]pyridine
CID 164785326
5,5-diethyl-2-(2-methylpropyl)-1-(pyridin-4-ylmethyl)piperazine
CID 64860440
10-methyl-11-(pyridin-3-ylmethyl)-7,11-diazaspiro[5.6]dodecane
CID 64872357

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine?
The IUPAC name of 2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine (CID 64861984) is 2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine.
What is the SMILES notation for 2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine?
The canonical SMILES for 2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine is CCC1(CC)CN(Cc2cccnc2)C(C(C)(C)C)CN1.
What is the InChIKey of 2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine?
The InChIKey is VCPXAYVKPAZSEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N3/c1-6-18(7-2)14-21(13-15-9-8-10-19-11-15)16(12-20-18)17(3,4)5/h8-11,16,20H,6-7,12-14H2,1-5H3.
What are the key properties of 2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine?
2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine has a molecular weight of 289.47 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5,5-diethyl-1-(pyridin-3-ylmethyl)piperazine is sourced from PubChem (CID 64861984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).