methyl 1-piperidin-4-ylazetidine-3-carboxylate

C10H18N2O2 — CID 156620432

IUPACmethyl 1-piperidin-4-ylazetidine-3-carboxylate
SMILESCOC(=O)C1CN(C2CCNCC2)C1
InChIInChI=1S/C10H18N2O2/c1-14-10(13)8-6-12(7-8)9-2-4-11-5-3-9/h8-9,11H,2-7H2,1H3
InChIKeyPFWKSLKJPWSYAI-UHFFFAOYSA-N
MW198.27 g/mol
LogP-0.16
Rot. Bonds2

About methyl 1-piperidin-4-ylazetidine-3-carboxylate

methyl 1-piperidin-4-ylazetidine-3-carboxylate (PubChem CID 156620432) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is methyl 1-piperidin-4-ylazetidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-piperidin-4-ylazetidine-3-carboxylate
PubChem CID156620432
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Namemethyl 1-piperidin-4-ylazetidine-3-carboxylate
SMILESCOC(=O)C1CN(C2CCNCC2)C1
InChIInChI=1S/C10H18N2O2/c1-14-10(13)8-6-12(7-8)9-2-4-11-5-3-9/h8-9,11H,2-7H2,1H3
InChIKeyPFWKSLKJPWSYAI-UHFFFAOYSA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 3-(4-aminopiperidin-1-yl)propanoate dihydrochloride
CID 57436991
Methyl 2,2-dimethyl-3-[(piperidin-4-yl)amino]propanoate
CID 139022432
Methyl 1-(piperidin-4-yl)azetidine-3-carboxylate dihydrochloride
CID 165687742
Ethyl 4-(1-acetylazetidine-3-carboxamido)piperidine-1-carboxylate
CID 71785364
1-Piperidinepropanoic acid, alpha-methyl-, methyl ester, hydrochloride
CID 177843089
Methyl 3-(4-aminopiperidin-1-yl)propanoate
CID 18969347
Ethyl 3-(4-aminopiperidin-1-yl)propanoate
CID 10750549
3-[(1-Methylpiperidin-4-yl)azaniumyl]propanoate
CID 29020537
Methyl 3-(methyl(piperidin-4-yl)amino)propanoate
CID 43607745
Propyl 3-(piperidin-4-ylamino)propanoate
CID 54122825
Ethyl 3-(piperidin-4-ylamino)propanoate
CID 54221594
Methyl 3-[(piperidin-4-yl)amino]propanoate
CID 54537076

Frequently Asked Questions

What is the IUPAC name of methyl 1-piperidin-4-ylazetidine-3-carboxylate?
The IUPAC name of methyl 1-piperidin-4-ylazetidine-3-carboxylate (CID 156620432) is methyl 1-piperidin-4-ylazetidine-3-carboxylate.
What is the SMILES notation for methyl 1-piperidin-4-ylazetidine-3-carboxylate?
The canonical SMILES for methyl 1-piperidin-4-ylazetidine-3-carboxylate is COC(=O)C1CN(C2CCNCC2)C1.
What is the InChIKey of methyl 1-piperidin-4-ylazetidine-3-carboxylate?
The InChIKey is PFWKSLKJPWSYAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-14-10(13)8-6-12(7-8)9-2-4-11-5-3-9/h8-9,11H,2-7H2,1H3.
What are the key properties of methyl 1-piperidin-4-ylazetidine-3-carboxylate?
methyl 1-piperidin-4-ylazetidine-3-carboxylate has a molecular weight of 198.27 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-piperidin-4-ylazetidine-3-carboxylate is sourced from PubChem (CID 156620432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).