methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate

C10H20N2O3 — CID 83989091

IUPACmethyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(N)CC(CCCO)C1
InChIInChI=1S/C10H20N2O3/c1-15-10(14)12-6-8(3-2-4-13)5-9(11)7-12/h8-9,13H,2-7,11H2,1H3
InChIKeyCXENZTBFDQZCDG-UHFFFAOYSA-N
MW216.28 g/mol
LogP0.17
Rot. Bonds3

About methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate

methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate (PubChem CID 83989091) has the molecular formula C10H20N2O3 and a molecular weight of 216.28 g/mol. Its IUPAC name is methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate
PubChem CID83989091
Molecular FormulaC10H20N2O3
Molecular Weight216.28 g/mol
Exact Mass216.15
IUPAC Namemethyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CC(N)CC(CCCO)C1
InChIInChI=1S/C10H20N2O3/c1-15-10(14)12-6-8(3-2-4-13)5-9(11)7-12/h8-9,13H,2-7,11H2,1H3
InChIKeyCXENZTBFDQZCDG-UHFFFAOYSA-N
XLogP0.17
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-amino-1-methoxycarbonylpiperidin-3-yl)acetic acid
CID 83989090
methyl 3-aminoazetidine-1-carboxylate
CID 18331259
methyl 3-(ethoxycarbonylamino)-5-(2-hydroxyethyl)piperidine-1-carboxylate
CID 112543786
methyl 3-butyl-5-(ethoxycarbonylamino)piperidine-1-carboxylate
CID 112543780
methyl 6-amino-3-azabicyclo[3.1.1]heptane-3-carboxylate
CID 130815114
methyl 3-butyl-5-(2,2-difluoroethylamino)piperidine-1-carboxylate
CID 83992924
ethyl N-[1-acetyl-5-(3-hydroxypropyl)piperidin-3-yl]carbamate
CID 112543842
ethyl N-[5-(3-hydroxypropyl)-1-propanoylpiperidin-3-yl]carbamate
CID 112543863
3-(3-hydroxypropyl)-5-(2-methylpropanoylamino)piperidine-1-carboxamide
CID 112542681
methyl 2-(3-amino-5-butylpiperidin-1-yl)acetate
CID 83989416
methyl 3-ethyl-5-methylpiperidine-1-carboxylate
CID 172601898
methyl 3-butyl-5-[(2-methylpropan-2-yl)oxycarbonylamino]piperidine-1-carboxylate
CID 112544419

Frequently Asked Questions

What is the IUPAC name of methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate?
The IUPAC name of methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate (CID 83989091) is methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate is COC(=O)N1CC(N)CC(CCCO)C1.
What is the InChIKey of methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate?
The InChIKey is CXENZTBFDQZCDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O3/c1-15-10(14)12-6-8(3-2-4-13)5-9(11)7-12/h8-9,13H,2-7,11H2,1H3.
What are the key properties of methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate?
methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate has a molecular weight of 216.28 g/mol, XLogP of 0.17, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-amino-5-(3-hydroxypropyl)piperidine-1-carboxylate is sourced from PubChem (CID 83989091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).