1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine

C19H38N2O2 — CID 170120703

IUPAC1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine
SMILESCC(C)(C)OC1CC(OC(C)(C)CC(C)(C)N2CCNCC2)C1
InChIInChI=1S/C19H38N2O2/c1-17(2,3)22-15-12-16(13-15)23-19(6,7)14-18(4,5)21-10-8-20-9-11-21/h15-16,20H,8-14H2,1-7H3
InChIKeyUIBLXTIPCDHHNJ-UHFFFAOYSA-N
MW326.53 g/mol
LogP3.20
Rot. Bonds6

About 1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine

1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine (PubChem CID 170120703) has the molecular formula C19H38N2O2 and a molecular weight of 326.53 g/mol. Its IUPAC name is 1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine.

Molecular Properties

Compound Name1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine
PubChem CID170120703
Molecular FormulaC19H38N2O2
Molecular Weight326.53 g/mol
Exact Mass326.29
IUPAC Name1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine
SMILESCC(C)(C)OC1CC(OC(C)(C)CC(C)(C)N2CCNCC2)C1
InChIInChI=1S/C19H38N2O2/c1-17(2,3)22-15-12-16(13-15)23-19(6,7)14-18(4,5)21-10-8-20-9-11-21/h15-16,20H,8-14H2,1-7H3
InChIKeyUIBLXTIPCDHHNJ-UHFFFAOYSA-N
XLogP3.20
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.53
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(3-Methoxy-3-methylbutoxy)-3-methylbutyl]piperazine
CID 134286103
4-(4-tert-butylpiperazin-1-yl)-N-[4-[(2-methylpropan-2-yl)oxy]pentan-2-yl]pentan-2-amine
CID 134582275
N-tert-butyl-N'-[2-[(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)amino]ethyl]-N'-methylethane-1,2-diamine
CID 137434900
N-tert-butyl-N'-(2,4-dimethyl-4-propan-2-yloxypentan-2-yl)ethane-1,2-diamine
CID 138713270
1-[4-[4-(3-Methoxycyclobutyl)oxypiperidin-1-yl]-2,2,4-trimethylpentyl]piperazine
CID 153537158
N-[3-(4-tert-butylpiperazin-1-yl)butan-2-yl]-4-[(2-methylpropan-2-yl)oxy]pentan-2-amine
CID 155214987
1-Tert-butyl-4-[4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine
CID 167181274
ethane;3-[3-(4-ethylpiperazin-1-yl)-3-methylbutoxy]-3-methyl-N-propan-2-ylbutan-1-amine
CID 168190164
1-[2-[4-[3-[(2-Methylpropan-2-yl)oxy]cyclobutyl]oxypiperidin-1-yl]ethyl]piperazine
CID 171430232
4-methoxy-4-methyl-N-(2-methyl-2-morpholin-4-ylpropyl)pentan-2-amine
CID 43147125
4-methoxy-4-methyl-N-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]pentan-2-amine
CID 43147230
3-ethoxy-2,2-dimethyl-N-(1-piperidin-1-ylpropan-2-yl)cyclobutan-1-amine
CID 64851342

Frequently Asked Questions

What is the IUPAC name of 1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine?
The IUPAC name of 1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine (CID 170120703) is 1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine.
What is the SMILES notation for 1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine?
The canonical SMILES for 1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine is CC(C)(C)OC1CC(OC(C)(C)CC(C)(C)N2CCNCC2)C1.
What is the InChIKey of 1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine?
The InChIKey is UIBLXTIPCDHHNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38N2O2/c1-17(2,3)22-15-12-16(13-15)23-19(6,7)14-18(4,5)21-10-8-20-9-11-21/h15-16,20H,8-14H2,1-7H3.
What are the key properties of 1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine?
1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine has a molecular weight of 326.53 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,4-dimethyl-4-[3-[(2-methylpropan-2-yl)oxy]cyclobutyl]oxypentan-2-yl]piperazine is sourced from PubChem (CID 170120703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).