1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)

C45H100N8 — CID 158286556

IUPAC1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)
SMILESC.C.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)C2(CC2)C1.CC(C)N1CCN(C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H20N2.C9H20N2.C8H18N2.2C8H17N.2CH4/c1-9(2)12-7-6-11(3)10(8-12)4-5-10;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;;/h9H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;2*1H4
InChIKeyGKVRTSCJUQXMFT-UHFFFAOYSA-N
MW753.35 g/mol
LogP7.88
Rot. Bonds6

About 1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)

1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine) (PubChem CID 158286556) has the molecular formula C45H100N8 and a molecular weight of 753.35 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine).

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)
PubChem CID158286556
Molecular FormulaC45H100N8
Molecular Weight753.35 g/mol
Exact Mass752.81
IUPAC Name1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)
SMILESC.C.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)C2(CC2)C1.CC(C)N1CCN(C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H20N2.C9H20N2.C8H18N2.2C8H17N.2CH4/c1-9(2)12-7-6-11(3)10(8-12)4-5-10;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;;/h9H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;2*1H4
InChIKeyGKVRTSCJUQXMFT-UHFFFAOYSA-N
XLogP7.88
TPSA25.92 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500753.35
LogP ≤ 57.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine) with MolForge

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Launch Full Analysis

Related Compounds

ethane;1-ethyl-4-methylpiperazine;1-propan-2-ylpiperidine
CID 176978736
1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylazepane
CID 170616932
ethane;1-methylazepane;1-propan-2-ylpiperidine
CID 170601993
1,4-dimethylpiperazine;1-ethyl-4-methylpiperazine
CID 160568928
1-methyl-4-propan-2-ylpiperazine
CID 7471963
1,4-dimethyl-7-propan-2-yl-1,4,7-triazonane
CID 157390684
1-methyl-4-[3-(4-propan-2-ylpiperazin-1-yl)propyl]piperazine
CID 170586361
carbanide;4,4-dimethyl-1-propan-2-ylpiperidine;ethane;1-methyl-4-propan-2-ylpiperazine;1-propan-2-ylpyrrolidine;nonakis(yttrium)
CID 163857850
1,4-di(propan-2-yl)piperazine;tetrakis(2-methylpropane);1-methyl-4-propan-2-ylpiperazine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 158438628
ethane;methane;1-propan-2-ylazetidine;1-propan-2-ylpiperidine;1-propan-2-ylpyrrolidine
CID 167622043
1-ethyl-4-[2-(4-methylpiperazin-1-yl)ethyl]piperazine
CID 82084531
butane;1-ethyl-4-methylpiperazine
CID 143179774

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)?
The IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine) (CID 158286556) is 1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine).
What is the SMILES notation for 1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)?
The canonical SMILES for 1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine) is C.C.CC(C)N1CCCCC1.CC(C)N1CCCCC1.CC(C)N1CCN(C)C2(CC2)C1.CC(C)N1CCN(C)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)?
The InChIKey is GKVRTSCJUQXMFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2.C9H20N2.C8H18N2.2C8H17N.2CH4/c1-9(2)12-7-6-11(3)10(8-12)4-5-10;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;2*1-8(2)9-6-4-3-5-7-9;;/h9H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8H,4-7H2,1-3H3;2*8H,3-7H2,1-2H3;2*1H4.
What are the key properties of 1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine)?
1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine) has a molecular weight of 753.35 g/mol, XLogP of 7.88, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpiperazine;methane;4-methyl-7-propan-2-yl-4,7-diazaspiro[2.5]octane;1-methyl-4-propan-2-ylpiperazine;bis(1-propan-2-ylpiperidine) is sourced from PubChem (CID 158286556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).