methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate

C9H18N2O3 — CID 83881160

IUPACmethyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(O)CN)CC1
InChIInChI=1S/C9H18N2O3/c1-14-9(13)11-4-2-7(3-5-11)8(12)6-10/h7-8,12H,2-6,10H2,1H3
InChIKeyIOBHBYJBLQWAED-UHFFFAOYSA-N
MW202.25 g/mol
LogP-0.22
Rot. Bonds2

About methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate

methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate (PubChem CID 83881160) has the molecular formula C9H18N2O3 and a molecular weight of 202.25 g/mol. Its IUPAC name is methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
PubChem CID83881160
Molecular FormulaC9H18N2O3
Molecular Weight202.25 g/mol
Exact Mass202.13
IUPAC Namemethyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
SMILESCOC(=O)N1CCC(C(O)CN)CC1
InChIInChI=1S/C9H18N2O3/c1-14-9(13)11-4-2-7(3-5-11)8(12)6-10/h7-8,12H,2-6,10H2,1H3
InChIKeyIOBHBYJBLQWAED-UHFFFAOYSA-N
XLogP-0.22
TPSA75.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-(2-amino-1-hydroxyethyl)azepane-1-carboxylate
CID 115006437
ethane;methyl 4-propan-2-ylpiperidine-1-carboxylate
CID 143709693
1-[4-(2-amino-1-hydroxyethyl)azepan-1-yl]ethanone
CID 115006831
methyl 4-(2-aminoacetyl)piperidine-1-carboxylate
CID 115006817
methyl 2-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate
CID 83881158
ethane;methyl 4-propylpiperidine-1-carboxylate
CID 145047424
methyl 4-[2-(methylamino)propyl]piperidine-1-carboxylate
CID 112714080
methyl 3-(1-oxopropan-2-yl)pyrrolidine-1-carboxylate
CID 83906912
methyl 4-(2-ethoxy-2-oxoethyl)piperidine-1-carboxylate
CID 143987210
methyl 4-bromopiperidine-1-carboxylate
CID 174906499
2-amino-1-cyclopropylethanol
CID 14852098
methyl 4-(3-aminopropoxy)piperidine-1-carboxylate
CID 79737000

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
The IUPAC name of methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate (CID 83881160) is methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate.
What is the SMILES notation for methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
The canonical SMILES for methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate is COC(=O)N1CCC(C(O)CN)CC1.
What is the InChIKey of methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
The InChIKey is IOBHBYJBLQWAED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18N2O3/c1-14-9(13)11-4-2-7(3-5-11)8(12)6-10/h7-8,12H,2-6,10H2,1H3.
What are the key properties of methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate?
methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate has a molecular weight of 202.25 g/mol, XLogP of -0.22, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-amino-1-hydroxyethyl)piperidine-1-carboxylate is sourced from PubChem (CID 83881160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).