4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine

C34H73N5O — CID 167711210

IUPAC4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/2C9H19N.C8H18N2.C8H17NO/c1-9(2,3)8-4-6-10-7-5-8;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/h8,10H,4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyZWDNPEKAZWUVEA-UHFFFAOYSA-N
MW567.99 g/mol
LogP6.11
Rot. Bonds

About 4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine

4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine (PubChem CID 167711210) has the molecular formula C34H73N5O and a molecular weight of 567.99 g/mol. Its IUPAC name is 4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine.

Molecular Properties

Compound Name4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine
PubChem CID167711210
Molecular FormulaC34H73N5O
Molecular Weight567.99 g/mol
Exact Mass567.58
IUPAC Name4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine
SMILESCC(C)(C)C1CCNCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1
InChIInChI=1S/2C9H19N.C8H18N2.C8H17NO/c1-9(2,3)8-4-6-10-7-5-8;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/h8,10H,4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3
InChIKeyZWDNPEKAZWUVEA-UHFFFAOYSA-N
XLogP6.11
TPSA43.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500567.99
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine?
The IUPAC name of 4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine (CID 167711210) is 4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine.
What is the SMILES notation for 4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine?
The canonical SMILES for 4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine is CC(C)(C)C1CCNCC1.CC(C)(C)N1CCCCC1.CC(C)(C)N1CCNCC1.CC(C)(C)N1CCOCC1.
What is the InChIKey of 4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine?
The InChIKey is ZWDNPEKAZWUVEA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C9H19N.C8H18N2.C8H17NO/c1-9(2,3)8-4-6-10-7-5-8;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/h8,10H,4-7H2,1-3H3;4-8H2,1-3H3;9H,4-7H2,1-3H3;4-7H2,1-3H3.
What are the key properties of 4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine?
4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine has a molecular weight of 567.99 g/mol, XLogP of 6.11, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butylmorpholine;1-tert-butylpiperazine;1-tert-butylpiperidine;4-tert-butylpiperidine is sourced from PubChem (CID 167711210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).