1-pentan-3-yl-2-propan-2-ylpiperazine

C12H26N2 — CID 64938438

IUPAC1-pentan-3-yl-2-propan-2-ylpiperazine
SMILESCCC(CC)N1CCNCC1C(C)C
InChIInChI=1S/C12H26N2/c1-5-11(6-2)14-8-7-13-9-12(14)10(3)4/h10-13H,5-9H2,1-4H3
InChIKeyUYKLIJMCMAHGEP-UHFFFAOYSA-N
MW198.35 g/mol
LogP2.10
Rot. Bonds4

About 1-pentan-3-yl-2-propan-2-ylpiperazine

1-pentan-3-yl-2-propan-2-ylpiperazine (PubChem CID 64938438) has the molecular formula C12H26N2 and a molecular weight of 198.35 g/mol. Its IUPAC name is 1-pentan-3-yl-2-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-pentan-3-yl-2-propan-2-ylpiperazine
PubChem CID64938438
Molecular FormulaC12H26N2
Molecular Weight198.35 g/mol
Exact Mass198.21
IUPAC Name1-pentan-3-yl-2-propan-2-ylpiperazine
SMILESCCC(CC)N1CCNCC1C(C)C
InChIInChI=1S/C12H26N2/c1-5-11(6-2)14-8-7-13-9-12(14)10(3)4/h10-13H,5-9H2,1-4H3
InChIKeyUYKLIJMCMAHGEP-UHFFFAOYSA-N
XLogP2.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-ethylpentan-2-yl)-2-propan-2-ylpiperazine
CID 64930343
1-(1-cyclohexylpropyl)-2-propan-2-ylpiperazine
CID 64932315
3-(2-propan-2-ylpiperazin-1-yl)butanoic acid
CID 112546820
2-[1-(2-propan-2-ylpiperazin-1-yl)propyl]-1,3-thiazole
CID 64932330
(2R)-1-(2-methylpropyl)-2-propan-2-ylpiperazine
CID 94982854
2-propan-2-yl-1-(1-pyridin-4-ylethyl)piperazine
CID 64930499
5-ethyl-5-methyl-1-pentan-3-yl-2-propan-2-ylpiperazine
CID 64931235
(2R)-2-ethyl-1-propan-2-ylpiperazine
CID 51627942
1-(2-propan-2-ylpiperazin-1-yl)butan-1-one
CID 82241181
2-ethyl-1-(1-methoxybutan-2-yl)piperazine
CID 64931133
2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 174972319
(2R)-2-ethyl-1-propan-2-ylpiperazine;hydrochloride
CID 141432719

Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-yl-2-propan-2-ylpiperazine?
The IUPAC name of 1-pentan-3-yl-2-propan-2-ylpiperazine (CID 64938438) is 1-pentan-3-yl-2-propan-2-ylpiperazine.
What is the SMILES notation for 1-pentan-3-yl-2-propan-2-ylpiperazine?
The canonical SMILES for 1-pentan-3-yl-2-propan-2-ylpiperazine is CCC(CC)N1CCNCC1C(C)C.
What is the InChIKey of 1-pentan-3-yl-2-propan-2-ylpiperazine?
The InChIKey is UYKLIJMCMAHGEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26N2/c1-5-11(6-2)14-8-7-13-9-12(14)10(3)4/h10-13H,5-9H2,1-4H3.
What are the key properties of 1-pentan-3-yl-2-propan-2-ylpiperazine?
1-pentan-3-yl-2-propan-2-ylpiperazine has a molecular weight of 198.35 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-yl-2-propan-2-ylpiperazine is sourced from PubChem (CID 64938438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).