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

C49H101N7O3 — CID 157218900

IUPAC4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;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)N1CCOCC1
InChIInChI=1S/C13H26N2.C12H24N2.C9H19NO.C8H17NO.C7H15NO/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/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
InChIKeyASTBGZCOCUENEO-UHFFFAOYSA-N
MW836.39 g/mol
LogP7.12
Rot. Bonds7

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

4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (PubChem CID 157218900) has the molecular formula C49H101N7O3 and a molecular weight of 836.39 g/mol. Its IUPAC name is 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine
PubChem CID157218900
Molecular FormulaC49H101N7O3
Molecular Weight836.39 g/mol
Exact Mass835.80
IUPAC Name4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;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)N1CCOCC1
InChIInChI=1S/C13H26N2.C12H24N2.C9H19NO.C8H17NO.C7H15NO/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/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
InChIKeyASTBGZCOCUENEO-UHFFFAOYSA-N
XLogP7.12
TPSA72.37 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms59
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500836.39
LogP ≤ 57.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine (CID 157218900) is 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;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;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;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)N1CCOCC1.
What is the InChIKey of 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
The InChIKey is ASTBGZCOCUENEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N2.C12H24N2.C9H19NO.C8H17NO.C7H15NO/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/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.
What are the key properties of 4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine?
4-methyl-1-propan-2-ylpiperidin-4-ol;4-piperidin-1-yl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine has a molecular weight of 836.39 g/mol, XLogP of 7.12, 7 rotatable bonds, 2 hydrogen bond donors, and 10 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;4-propan-2-ylmorpholine;1-propan-2-ylpiperidin-4-ol;1-propan-2-yl-4-pyrrolidin-1-ylpiperidine is sourced from PubChem (CID 157218900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).