2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine

C17H29N3 — CID 64838682

IUPAC2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C(C)C)CN1Cc1ccccn1
InChIInChI=1S/C17H29N3/c1-5-17(6-2)13-19-16(14(3)4)12-20(17)11-15-9-7-8-10-18-15/h7-10,14,16,19H,5-6,11-13H2,1-4H3
InChIKeyCRVBINTWOZSOKB-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.07
Rot. Bonds5

About 2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine

2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine (PubChem CID 64838682) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine
PubChem CID64838682
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine
SMILESCCC1(CC)CNC(C(C)C)CN1Cc1ccccn1
InChIInChI=1S/C17H29N3/c1-5-17(6-2)13-19-16(14(3)4)12-20(17)11-15-9-7-8-10-18-15/h7-10,14,16,19H,5-6,11-13H2,1-4H3
InChIKeyCRVBINTWOZSOKB-UHFFFAOYSA-N
XLogP3.07
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-diethyl-5-propan-2-yl-1-(pyridin-2-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

8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64840047
2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64839207
1-[(5-bromo-2-pyridinyl)methyl]-2,2-diethyl-5-propan-2-ylpiperazine
CID 104812404
8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877786
5-butan-2-yl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine
CID 64849616
1-(2,2-difluoroethyl)-2,2-diethyl-5-propan-2-ylpiperazine
CID 64839847
2,2-diethyl-1-(3-fluoropropyl)-5-propan-2-ylpiperazine
CID 81113954
2,2-diethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64839461
2,2-diethyl-1-octyl-5-propan-2-ylpiperazine
CID 64839848
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
5-butan-2-yl-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64847638
2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine
CID 166501051

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine (CID 64838682) is 2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine is CCC1(CC)CNC(C(C)C)CN1Cc1ccccn1.
What is the InChIKey of 2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine?
The InChIKey is CRVBINTWOZSOKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-5-17(6-2)13-19-16(14(3)4)12-20(17)11-15-9-7-8-10-18-15/h7-10,14,16,19H,5-6,11-13H2,1-4H3.
What are the key properties of 2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine?
2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine has a molecular weight of 275.44 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 64838682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).