1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

C42H91N7O — CID 159135855

IUPAC1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H17N/c1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h5-8H2,1-4H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyKHMDBONHQKNSDZ-UHFFFAOYSA-N
MW710.24 g/mol
LogP6.99
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine

1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (PubChem CID 159135855) has the molecular formula C42H91N7O and a molecular weight of 710.24 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
PubChem CID159135855
Molecular FormulaC42H91N7O
Molecular Weight710.24 g/mol
Exact Mass709.73
IUPAC Name1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine
SMILESCC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H17N/c1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h5-8H2,1-4H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyKHMDBONHQKNSDZ-UHFFFAOYSA-N
XLogP6.99
TPSA40.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500710.24
LogP ≤ 56.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

1-tert-butyl-4,4-difluoropiperidine;1-tert-butyl-4-fluoropiperidine;(3R)-1-tert-butyl-3-fluoropyrrolidine;1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine
CID 161388502
4-(4-Methyl-2-piperazin-1-yl-3-piperidin-1-yl-3-pyrrolidin-1-ylpiperazin-2-yl)morpholine
CID 54485847
4-[3-(4-Methylpiperazin-1-yl)-3-piperazin-1-yl-2-piperidin-1-ylpyrrolidin-2-yl]morpholine
CID 91151109
2-(4-Methylpiperazin-1-yl)-3-piperazin-1-yl-3-piperidin-1-yl-2-pyrrolidin-1-ylmorpholine
CID 123334449
4-Methylmorpholine;1-methylpiperazine;1-methylpiperidine;1-methylpyrrolidine
CID 144057730
ethane;4-[1-(2-methylpropyl)piperidin-4-yl]morpholine;piperidine;N,N,1-triethylpiperidin-4-amine
CID 145336541
Ethane;1-ethyl-4-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine;1-[2-(1-propylpiperidin-4-yl)oxyethyl]piperazine
CID 156885090
Ethane;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]-4-methylpiperazine;1-[2-(1-ethylpiperidin-4-yl)oxyethyl]piperazine
CID 156885685
methane;3-methylbutan-1-amine;4-(3-methylbutyl)morpholine;bis(1-(3-methylbutyl)piperazine);N-(3-methylbutyl)piperidin-4-amine;1-(3-methylbutyl)piperidine;1-(3-methylbutyl)pyrrolidine;1-methyl-4-(3-methylbutyl)piperazine
CID 157192131
1-Tert-butylazetidine;4-tert-butyl-1,4-oxazepane;1-tert-butylpiperazine;bis(1-tert-butylpiperidine);1-tert-butylpyrrolidine
CID 157521331
ethane;methane;1-methyl-4-(2-methylpropyl)piperazine;4-(2-methylpropyl)morpholine;1-(2-methylpropyl)piperazine;1-(2-methylpropyl)piperidine;1-(2-methylpropyl)pyrrolidine;N,N,2-trimethylpropan-1-amine
CID 157532905
1-Tert-butylpyrrolidine;tris(2-methylpropane);morpholine;piperazine;piperidine
CID 157537968

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine (CID 159135855) is 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is CC(C)(C)N1CCCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
The InChIKey is KHMDBONHQKNSDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H17N/c1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)10-7-5-4-6-8-10;1-8(2,3)10-6-4-9-5-7-10;1-8(2,3)9-4-6-10-7-5-9;1-8(2,3)9-6-4-5-7-9/h5-8H2,1-4H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine?
1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine has a molecular weight of 710.24 g/mol, XLogP of 6.99, 0 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;1-tert-butylpyrrolidine is sourced from PubChem (CID 159135855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).