2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine

C17H29N3 — CID 64839207

IUPAC2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
SMILESCCCC1CN(Cc2ccccn2)C(CC)(CC)CN1
InChIInChI=1S/C17H29N3/c1-4-9-15-12-20(13-16-10-7-8-11-18-16)17(5-2,6-3)14-19-15/h7-8,10-11,15,19H,4-6,9,12-14H2,1-3H3
InChIKeyYWBXJYRWPAOEIC-UHFFFAOYSA-N
MW275.44 g/mol
LogP3.21
Rot. Bonds6

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

2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine (PubChem CID 64839207) has the molecular formula C17H29N3 and a molecular weight of 275.44 g/mol. Its IUPAC name is 2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine.

Molecular Properties

Compound Name2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
PubChem CID64839207
Molecular FormulaC17H29N3
Molecular Weight275.44 g/mol
Exact Mass275.24
IUPAC Name2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
SMILESCCCC1CN(Cc2ccccn2)C(CC)(CC)CN1
InChIInChI=1S/C17H29N3/c1-4-9-15-12-20(13-16-10-7-8-11-18-16)17(5-2,6-3)14-19-15/h7-8,10-11,15,19H,4-6,9,12-14H2,1-3H3
InChIKeyYWBXJYRWPAOEIC-UHFFFAOYSA-N
XLogP3.21
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-diethyl-5-propan-2-yl-1-(pyridin-2-ylmethyl)piperazine
CID 64838682
1-[(4-bromophenyl)methyl]-2,2-diethyl-5-propylpiperazine
CID 64840562
2-cyclopropyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64838011
8,8-diethyl-9-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64877786
5-[(2,2-diethyl-5-propylpiperazin-1-yl)methyl]-1,3-thiazole
CID 112644850
5-methyl-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64845678
1-(cyclopropylmethyl)-2,2-diethyl-5-propylpiperazine
CID 64840755
2,2-diethyl-1-pentyl-5-propylpiperazine
CID 64839985
5-(2-methylpropyl)-2-propyl-1-(pyridin-2-ylmethyl)piperazine
CID 64848923
2-[5,5-dimethyl-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]ethanol
CID 117018520
8-propan-2-yl-6-(pyridin-2-ylmethyl)-6,9-diazaspiro[4.5]decane
CID 64840047
2-ethyl-5-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 64844286

Frequently Asked Questions

What is the IUPAC name of 2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine?
The IUPAC name of 2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine (CID 64839207) is 2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine.
What is the SMILES notation for 2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine?
The canonical SMILES for 2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine is CCCC1CN(Cc2ccccn2)C(CC)(CC)CN1.
What is the InChIKey of 2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine?
The InChIKey is YWBXJYRWPAOEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3/c1-4-9-15-12-20(13-16-10-7-8-11-18-16)17(5-2,6-3)14-19-15/h7-8,10-11,15,19H,4-6,9,12-14H2,1-3H3.
What are the key properties of 2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine?
2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine has a molecular weight of 275.44 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-diethyl-5-propyl-1-(pyridin-2-ylmethyl)piperazine is sourced from PubChem (CID 64839207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).