4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol

C49H104N6O2 — CID 160881458

IUPAC4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1.CC1CN(C(C)C)C1.CCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H19N.C8H17NO.C8H17N.C7H15NO.C7H15N/c1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-7(3)5-8/h9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3
InChIKeySNBVDPBQOMLXTP-UHFFFAOYSA-N
MW809.41 g/mol
LogP9.45
Rot. Bonds7

About 4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol

4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol (PubChem CID 160881458) has the molecular formula C49H104N6O2 and a molecular weight of 809.41 g/mol. Its IUPAC name is 4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol.

Molecular Properties

Compound Name4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol
PubChem CID160881458
Molecular FormulaC49H104N6O2
Molecular Weight809.41 g/mol
Exact Mass808.82
IUPAC Name4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol
SMILESCC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1.CC1CN(C(C)C)C1.CCC1CCN(C(C)C)CC1
InChIInChI=1S/C10H21N.C9H19N.C8H17NO.C8H17N.C7H15NO.C7H15N/c1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-7(3)5-8/h9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3
InChIKeySNBVDPBQOMLXTP-UHFFFAOYSA-N
XLogP9.45
TPSA48.90 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500809.41
LogP ≤ 59.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol?
The IUPAC name of 4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol (CID 160881458) is 4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol.
What is the SMILES notation for 4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol?
The canonical SMILES for 4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol is CC(C)N1CCC(O)CC1.CC(C)N1CCCCC1.CC(C)N1CCOCC1.CC1CCN(C(C)C)CC1.CC1CN(C(C)C)C1.CCC1CCN(C(C)C)CC1.
What is the InChIKey of 4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol?
The InChIKey is SNBVDPBQOMLXTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N.C9H19N.C8H17NO.C8H17N.C7H15NO.C7H15N/c1-4-10-5-7-11(8-6-10)9(2)3;1-8(2)10-6-4-9(3)5-7-10;1-7(2)9-5-3-8(10)4-6-9;1-8(2)9-6-4-3-5-7-9;1-7(2)8-3-5-9-6-4-8;1-6(2)8-4-7(3)5-8/h9-10H,4-8H2,1-3H3;8-9H,4-7H2,1-3H3;7-8,10H,3-6H2,1-2H3;8H,3-7H2,1-2H3;7H,3-6H2,1-2H3;6-7H,4-5H2,1-3H3.
What are the key properties of 4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol?
4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol has a molecular weight of 809.41 g/mol, XLogP of 9.45, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-propan-2-ylpiperidine;3-methyl-1-propan-2-ylazetidine;4-methyl-1-propan-2-ylpiperidine;4-propan-2-ylmorpholine;1-propan-2-ylpiperidine;1-propan-2-ylpiperidin-4-ol is sourced from PubChem (CID 160881458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).