1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine

C36H78N6 — CID 162156857

IUPAC1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)N1CCNCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.C9H19N.C8H18N2/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)10-6-4-9-5-7-10/h9H,5-8H2,1-4H3;5-8H2,1-4H3;8,10H,4-7H2,1-3H3;9H,4-7H2,1-3H3
InChIKeyZLYCOIDQPGYZNS-UHFFFAOYSA-N
MW595.06 g/mol
LogP6.13
Rot. Bonds

About 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine

1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine (PubChem CID 162156857) has the molecular formula C36H78N6 and a molecular weight of 595.06 g/mol. Its IUPAC name is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine.

Molecular Properties

Compound Name1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine
PubChem CID162156857
Molecular FormulaC36H78N6
Molecular Weight595.06 g/mol
Exact Mass594.63
IUPAC Name1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)N1CCNCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.C9H19N.C8H18N2/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)10-6-4-9-5-7-10/h9H,5-8H2,1-4H3;5-8H2,1-4H3;8,10H,4-7H2,1-3H3;9H,4-7H2,1-3H3
InChIKeyZLYCOIDQPGYZNS-UHFFFAOYSA-N
XLogP6.13
TPSA37.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.06
LogP ≤ 56.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine?
The IUPAC name of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine (CID 162156857) is 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine.
What is the SMILES notation for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine?
The canonical SMILES for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine is CC(C)(C)C1CCNCC1.CC(C)(C)N1CCNCC1.CN1CCC(C(C)(C)C)CC1.CN1CCN(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine?
The InChIKey is ZLYCOIDQPGYZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.C9H19N.C8H18N2/c1-10(2,3)9-5-7-11(4)8-6-9;1-9(2,3)11-7-5-10(4)6-8-11;1-9(2,3)8-4-6-10-7-5-8;1-8(2,3)10-6-4-9-5-7-10/h9H,5-8H2,1-4H3;5-8H2,1-4H3;8,10H,4-7H2,1-3H3;9H,4-7H2,1-3H3.
What are the key properties of 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine?
1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine has a molecular weight of 595.06 g/mol, XLogP of 6.13, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylpiperazine;4-tert-butyl-1-methylpiperidine;1-tert-butylpiperazine;4-tert-butylpiperidine is sourced from PubChem (CID 162156857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).