(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol

C10H22N2O2 — CID 77442311

IUPAC(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N1CCCC(N)C1
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8-9,13H,4-7,11H2,1-3H3
InChIKeyFZRCJYQXFPJJGN-UHFFFAOYSA-N
MW202.30 g/mol
LogP0.50
Rot. Bonds2

About (3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol

(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol (PubChem CID 77442311) has the molecular formula C10H22N2O2 and a molecular weight of 202.30 g/mol. Its IUPAC name is (3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol.

Molecular Properties

Compound Name(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
PubChem CID77442311
Molecular FormulaC10H22N2O2
Molecular Weight202.30 g/mol
Exact Mass202.17
IUPAC Name(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
SMILESCC(C)(C)OC(O)N1CCCC(N)C1
InChIInChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8-9,13H,4-7,11H2,1-3H3
InChIKeyFZRCJYQXFPJJGN-UHFFFAOYSA-N
XLogP0.50
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.30
LogP ≤ 50.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3-methoxypiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol
CID 129222575
[(3S)-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]pyrrolidin-3-yl]methyl methanesulfonate
CID 139524998
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxamide
CID 123191389
1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]piperidine-4-carboxylic acid
CID 154475897
1-(4-methylpentan-2-yl)piperidin-3-amine
CID 61295686
(3R)-1-but-3-yn-2-ylpiperidin-3-amine
CID 102985169
ethyl 3-[(3R)-3-aminopiperidin-1-yl]butanoate
CID 102984888
3-(3-aminopiperidin-1-yl)-4,4,4-trifluorobutanoic acid
CID 83824790
tert-butyl 3-aminopiperidine-1-carboxylate;dihydrochloride
CID 155920291
(R)-[4-(4-methylpiperidin-1-yl)piperidin-1-yl]-[(2-methylpropan-2-yl)oxy]methanol
CID 142812058
1-(1,2,2-trifluoroethyl)piperidin-3-amine;dihydrochloride
CID 175596076
(4R)-4-amino-1-[hydroxy-[(2-methylpropan-2-yl)oxy]methyl]azepane-4-carbonitrile
CID 163450077

Frequently Asked Questions

What is the IUPAC name of (3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The IUPAC name of (3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol (CID 77442311) is (3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol.
What is the SMILES notation for (3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The canonical SMILES for (3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol is CC(C)(C)OC(O)N1CCCC(N)C1.
What is the InChIKey of (3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
The InChIKey is FZRCJYQXFPJJGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H22N2O2/c1-10(2,3)14-9(13)12-6-4-5-8(11)7-12/h8-9,13H,4-7,11H2,1-3H3.
What are the key properties of (3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol?
(3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol has a molecular weight of 202.30 g/mol, XLogP of 0.50, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-aminopiperidin-1-yl)-[(2-methylpropan-2-yl)oxy]methanol is sourced from PubChem (CID 77442311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).