1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine

C16H34N2 — CID 114210392

IUPAC1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1CCCC(C)(C)C
InChIInChI=1S/C16H34N2/c1-7-14-11-17-15(13(2)3)12-18(14)10-8-9-16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyDNWQBCVXDGSJLU-UHFFFAOYSA-N
MW254.46 g/mol
LogP3.52
Rot. Bonds5

About 1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine

1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine (PubChem CID 114210392) has the molecular formula C16H34N2 and a molecular weight of 254.46 g/mol. Its IUPAC name is 1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine
PubChem CID114210392
Molecular FormulaC16H34N2
Molecular Weight254.46 g/mol
Exact Mass254.27
IUPAC Name1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine
SMILESCCC1CNC(C(C)C)CN1CCCC(C)(C)C
InChIInChI=1S/C16H34N2/c1-7-14-11-17-15(13(2)3)12-18(14)10-8-9-16(4,5)6/h13-15,17H,7-12H2,1-6H3
InChIKeyDNWQBCVXDGSJLU-UHFFFAOYSA-N
XLogP3.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.46
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,3-dimethylbutyl)-5-propan-2-yl-2-propylpiperazine
CID 64832139
2-ethyl-1-hexyl-5-propan-2-ylpiperazine
CID 64833921
2-ethyl-1-(3-ethylsulfonylpropyl)-5-propan-2-ylpiperazine
CID 65097314
2-ethyl-5-propan-2-yl-1-(2,2,3-trimethylbutyl)piperazine
CID 114102126
1-(2-butoxyethyl)-2-ethyl-5-propan-2-ylpiperazine
CID 64834120
1-(3-methoxy-3-methylbutyl)-5-propan-2-yl-2-propylpiperazine
CID 103016198
(1-pentyl-5-propan-2-ylpiperazin-2-yl)methanol
CID 82242691
2-ethyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937339
5-tert-butyl-2-ethyl-1-(4-methylpentyl)piperazine
CID 64941761
2-ethyl-1-hexan-2-yl-5-propan-2-ylpiperazine
CID 64936630
4-(5-butan-2-yl-2-ethylpiperazin-1-yl)-N,N-dimethylbutan-1-amine
CID 64939113
2-ethyl-1-[(4-methylphenyl)methyl]-5-propan-2-ylpiperazine
CID 64832516

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine?
The IUPAC name of 1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine (CID 114210392) is 1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine.
What is the SMILES notation for 1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine?
The canonical SMILES for 1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine is CCC1CNC(C(C)C)CN1CCCC(C)(C)C.
What is the InChIKey of 1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine?
The InChIKey is DNWQBCVXDGSJLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H34N2/c1-7-14-11-17-15(13(2)3)12-18(14)10-8-9-16(4,5)6/h13-15,17H,7-12H2,1-6H3.
What are the key properties of 1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine?
1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine has a molecular weight of 254.46 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-dimethylpentyl)-2-ethyl-5-propan-2-ylpiperazine is sourced from PubChem (CID 114210392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).