ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid

C17H35NO3 — CID 144652681

IUPACethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid
SMILESCC.CC(C)CC1(C)COC1.CC1CCN(C(=O)O)CC1
InChIInChI=1S/C8H16O.C7H13NO2.C2H6/c1-7(2)4-8(3)5-9-6-8;1-6-2-4-8(5-3-6)7(9)10;1-2/h7H,4-6H2,1-3H3;6H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyFPGRDZJBGWQXRY-UHFFFAOYSA-N
MW301.47 g/mol
LogP4.49
Rot. Bonds2

About ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid

ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid (PubChem CID 144652681) has the molecular formula C17H35NO3 and a molecular weight of 301.47 g/mol. Its IUPAC name is ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Nameethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid
PubChem CID144652681
Molecular FormulaC17H35NO3
Molecular Weight301.47 g/mol
Exact Mass301.26
IUPAC Nameethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid
SMILESCC.CC(C)CC1(C)COC1.CC1CCN(C(=O)O)CC1
InChIInChI=1S/C8H16O.C7H13NO2.C2H6/c1-7(2)4-8(3)5-9-6-8;1-6-2-4-8(5-3-6)7(9)10;1-2/h7H,4-6H2,1-3H3;6H,2-5H2,1H3,(H,9,10);1-2H3
InChIKeyFPGRDZJBGWQXRY-UHFFFAOYSA-N
XLogP4.49
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.47
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-methylpiperidin-1-yl)-(3-propan-2-yloxetan-3-yl)methanone
CID 166255969
(2R)-2,3-dihydroxy-1-(4-methylpiperidin-1-yl)propan-1-one
CID 58959887
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperidin-1-yl]methanone
CID 167480595
butan-2-yl 4-methylpiperidine-1-carboxylate
CID 58345850
ethane;1-(4-methylpiperidin-1-yl)propan-1-one
CID 143648090
2-bromo-1-(4-methylpiperidin-1-yl)ethanone
CID 52984046
methane;2-methyl-1-(4-methylpiperidin-1-yl)propan-1-one
CID 143298111
2-methyl-4-(4-methylpiperidin-1-yl)-4-oxo-2-propan-2-ylbutanoic acid
CID 43437317
(3,3-dimethylmorpholin-4-yl)-(4-methylpiperidin-1-yl)methanone
CID 116654559
4-methyl-1-(2-methylpropyl)cyclohexane-1-carboxylic acid
CID 65394081
(4-methylpiperidin-1-yl)-[4-(2-methylpropyl)piperazin-1-yl]methanone
CID 116655615
4-methyl-N-[(3-methyloxetan-3-yl)methyl]piperidine-1-sulfonamide
CID 46958597

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid?
The IUPAC name of ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid (CID 144652681) is ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid.
What is the SMILES notation for ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid?
The canonical SMILES for ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid is CC.CC(C)CC1(C)COC1.CC1CCN(C(=O)O)CC1.
What is the InChIKey of ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid?
The InChIKey is FPGRDZJBGWQXRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C7H13NO2.C2H6/c1-7(2)4-8(3)5-9-6-8;1-6-2-4-8(5-3-6)7(9)10;1-2/h7H,4-6H2,1-3H3;6H,2-5H2,1H3,(H,9,10);1-2H3.
What are the key properties of ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid?
ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid has a molecular weight of 301.47 g/mol, XLogP of 4.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-3-(2-methylpropyl)oxetane;4-methylpiperidine-1-carboxylic acid is sourced from PubChem (CID 144652681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).