4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

C62H129N9O3 — CID 158028855

IUPAC4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
SMILESCC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCOCC1
InChIInChI=1S/C13H26N2.C12H24N2.C9H19NO.C8H17NO.C7H15NO.C7H15N.C6H13N/c1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;8,11H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyFGYAYQNOQLXYED-UHFFFAOYSA-N
MW1048.77 g/mol
LogP9.71
Rot. Bonds9

About 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine

4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (PubChem CID 158028855) has the molecular formula C62H129N9O3 and a molecular weight of 1048.77 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.

Molecular Properties

Compound Name4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
PubChem CID158028855
Molecular FormulaC62H129N9O3
Molecular Weight1048.77 g/mol
Exact Mass1048.02
IUPAC Name4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
SMILESCC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCOCC1
InChIInChI=1S/C13H26N2.C12H24N2.C9H19NO.C8H17NO.C7H15NO.C7H15N.C6H13N/c1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;8,11H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3
InChIKeyFGYAYQNOQLXYED-UHFFFAOYSA-N
XLogP9.71
TPSA78.85 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds9
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001048.77
LogP ≤ 59.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The IUPAC name of 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (CID 158028855) is 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine.
What is the SMILES notation for 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The canonical SMILES for 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is CC(C)N1CCC(C)(O)CC1.CC(C)N1CCC(N2CCCC2)CC1.CC(C)N1CCC(N2CCCCC2)CC1.CC(C)N1CCC(O)CC1.CC(C)N1CCC1.CC(C)N1CCCC1.CC(C)N1CCOCC1.
What is the InChIKey of 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is FGYAYQNOQLXYED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C12H24N2.C9H19NO.C8H17NO.C7H15NO.C7H15N.C6H13N/c1-12(2)14-10-6-13(7-11-14)15-8-4-3-5-9-15;1-11(2)13-9-5-12(6-10-13)14-7-3-4-8-14;1-8(2)10-6-4-9(3,11)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-7(2)8-3-5-9-6-4-8;1-7(2)8-5-3-4-6-8;1-6(2)7-4-3-5-7/h12-13H,3-11H2,1-2H3;11-12H,3-10H2,1-2H3;8,11H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;7H,3-6H2,1-2H3;7H,3-6H2,1-2H3;6H,3-5H2,1-2H3.
What are the key properties of 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 1048.77 g/mol, XLogP of 9.71, 9 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;1-propan-2-ylazetidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-ylpyrrolidine;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 158028855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).