5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine

C16H27N3 — CID 64848063

IUPAC5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccncc2)C(C)(C)CN1
InChIInChI=1S/C16H27N3/c1-5-13(2)15-11-19(16(3,4)12-18-15)10-14-6-8-17-9-7-14/h6-9,13,15,18H,5,10-12H2,1-4H3
InChIKeyDDWODWUTBJDNPL-UHFFFAOYSA-N
MW261.41 g/mol
LogP2.68
Rot. Bonds4

About 5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine

5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine (PubChem CID 64848063) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is 5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine.

Molecular Properties

Compound Name5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
PubChem CID64848063
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC Name5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
SMILESCCC(C)C1CN(Cc2ccncc2)C(C)(C)CN1
InChIInChI=1S/C16H27N3/c1-5-13(2)15-11-19(16(3,4)12-18-15)10-14-6-8-17-9-7-14/h6-9,13,15,18H,5,10-12H2,1-4H3
InChIKeyDDWODWUTBJDNPL-UHFFFAOYSA-N
XLogP2.68
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-dimethyl-5-propan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64839060
(5R)-1-benzyl-2,2-dimethyl-5-propan-2-ylpiperazine
CID 129371290
5-butan-2-yl-1-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylpiperazine
CID 64847871
1-[(3-bromo-4-fluorophenyl)methyl]-5-butan-2-yl-2,2-dimethylpiperazine
CID 64847290
5-butan-2-yl-1-[(2-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64848062
5-butan-2-yl-2-ethyl-2-methyl-1-(pyridin-3-ylmethyl)piperazine
CID 64849613
5-tert-butyl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine
CID 64843004
5-butan-2-yl-1-[(2-chloro-6-fluorophenyl)methyl]-2,2-dimethylpiperazine
CID 64847095
3-butan-2-yl-1-(pyridin-4-ylmethyl)piperazine
CID 64831721
2,5-di(butan-2-yl)-1-(pyridin-4-ylmethyl)piperazine
CID 64850168
5-butan-2-yl-2,2-dimethyl-1-(3-phenylpropyl)piperazine
CID 64849218
5-butan-2-yl-2,2-diethyl-1-(pyridin-3-ylmethyl)piperazine
CID 64849616

Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
The IUPAC name of 5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine (CID 64848063) is 5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine.
What is the SMILES notation for 5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
The canonical SMILES for 5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine is CCC(C)C1CN(Cc2ccncc2)C(C)(C)CN1.
What is the InChIKey of 5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
The InChIKey is DDWODWUTBJDNPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3/c1-5-13(2)15-11-19(16(3,4)12-18-15)10-14-6-8-17-9-7-14/h6-9,13,15,18H,5,10-12H2,1-4H3.
What are the key properties of 5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine?
5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine has a molecular weight of 261.41 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-2,2-dimethyl-1-(pyridin-4-ylmethyl)piperazine is sourced from PubChem (CID 64848063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).