1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol

C59H126N8O3 — CID 158054707

IUPAC1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)C1CCN(C)CC1.CC(C)C1CCOCC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CCN1CCC(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H16O.C7H15NO/c1-4-11-7-5-10(6-8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;2*1-7(2)8-3-5-9-6-4-8/h9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyFJWZTGACCNFTQC-UHFFFAOYSA-N
MW995.71 g/mol
LogP9.68
Rot. Bonds9

About 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol

1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol (PubChem CID 158054707) has the molecular formula C59H126N8O3 and a molecular weight of 995.71 g/mol. Its IUPAC name is 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol
PubChem CID158054707
Molecular FormulaC59H126N8O3
Molecular Weight995.71 g/mol
Exact Mass995.00
IUPAC Name1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)C1CCN(C)CC1.CC(C)C1CCOCC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CCN1CCC(C(C)C)CC1.CCN1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H16O.C7H15NO/c1-4-11-7-5-10(6-8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;2*1-7(2)8-3-5-9-6-4-8/h9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3
InChIKeyFJWZTGACCNFTQC-UHFFFAOYSA-N
XLogP9.68
TPSA64.61 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500995.71
LogP ≤ 59.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol with MolForge

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Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol (CID 158054707) is 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol is CC(C)C1CCN(C)CC1.CC(C)C1CCOCC1.CC(C)N1CCC(O)CC1.CC(C)N1CCN(C)CC1.CC(C)N1CCOCC1.CCN1CCC(C(C)C)CC1.CCN1CCN(C(C)C)CC1.
What is the InChIKey of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol?
The InChIKey is FJWZTGACCNFTQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H20N2.C9H19N.C8H18N2.C8H17NO.C8H16O.C7H15NO/c1-4-11-7-5-10(6-8-11)9(2)3;1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)9-4-6-10(3)7-5-9;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;2*1-7(2)8-3-5-9-6-4-8/h9-10H,4-8H2,1-3H3;9H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;8H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;7-8H,3-6H2,1-2H3;7H,3-6H2,1-2H3.
What are the key properties of 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol?
1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol has a molecular weight of 995.71 g/mol, XLogP of 9.68, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-propan-2-ylpiperazine;1-ethyl-4-propan-2-ylpiperidine;1-methyl-4-propan-2-ylpiperazine;1-methyl-4-propan-2-ylpiperidine;4-propan-2-ylmorpholine;4-propan-2-yloxane;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 158054707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).