methyl 4-hydroxy-2-piperidin-1-ylbutanoate

C10H19NO3 — CID 105453618

IUPACmethyl 4-hydroxy-2-piperidin-1-ylbutanoate
SMILESCOC(=O)C(CCO)N1CCCCC1
InChIInChI=1S/C10H19NO3/c1-14-10(13)9(5-8-12)11-6-3-2-4-7-11/h9,12H,2-8H2,1H3
InChIKeyDHCQIRJGVPWQSS-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.40
Rot. Bonds4

About methyl 4-hydroxy-2-piperidin-1-ylbutanoate

methyl 4-hydroxy-2-piperidin-1-ylbutanoate (PubChem CID 105453618) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is methyl 4-hydroxy-2-piperidin-1-ylbutanoate.

Molecular Properties

Compound Namemethyl 4-hydroxy-2-piperidin-1-ylbutanoate
PubChem CID105453618
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Namemethyl 4-hydroxy-2-piperidin-1-ylbutanoate
SMILESCOC(=O)C(CCO)N1CCCCC1
InChIInChI=1S/C10H19NO3/c1-14-10(13)9(5-8-12)11-6-3-2-4-7-11/h9,12H,2-8H2,1H3
InChIKeyDHCQIRJGVPWQSS-UHFFFAOYSA-N
XLogP0.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2R)-3-amino-2-piperidin-1-ylpropanoate
CID 86664944
dimethyl 2-pyrrolidin-1-ylbutanedioate
CID 4892838
2-[4,7-bis(1-carboxy-3-hydroxypropyl)-1,4,7-triazacycloundec-1-yl]-4-hydroxybutanoic acid
CID 140600194
methyl 2-(1,4-diazepan-1-yl)pentanoate
CID 60993244
methyl 2-(1,4-diazepan-1-yl)-3-hydroxypropanoate
CID 104711236
methyl 2,2-dipyrrolidin-1-ylacetate
CID 132553611
methyl 2-methoxy-2-piperidin-1-ylacetate
CID 57327649
2-[4-(1-carboxy-3-hydroxypropyl)-1,4-diazepan-1-yl]-4-hydroxybutanoic acid
CID 10904172
methyl 3-phenyl-2-pyrrolidin-1-ylpropanoate
CID 20833938
methyl 2-(4-methylazepan-1-yl)hexanoate
CID 112695834
methyl 2-(4-methylpiperazin-1-yl)hexanoate
CID 115608220
methyl 3-methyl-2-pyrrolidin-1-ylbutanoate
CID 43866498

Frequently Asked Questions

What is the IUPAC name of methyl 4-hydroxy-2-piperidin-1-ylbutanoate?
The IUPAC name of methyl 4-hydroxy-2-piperidin-1-ylbutanoate (CID 105453618) is methyl 4-hydroxy-2-piperidin-1-ylbutanoate.
What is the SMILES notation for methyl 4-hydroxy-2-piperidin-1-ylbutanoate?
The canonical SMILES for methyl 4-hydroxy-2-piperidin-1-ylbutanoate is COC(=O)C(CCO)N1CCCCC1.
What is the InChIKey of methyl 4-hydroxy-2-piperidin-1-ylbutanoate?
The InChIKey is DHCQIRJGVPWQSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-14-10(13)9(5-8-12)11-6-3-2-4-7-11/h9,12H,2-8H2,1H3.
What are the key properties of methyl 4-hydroxy-2-piperidin-1-ylbutanoate?
methyl 4-hydroxy-2-piperidin-1-ylbutanoate has a molecular weight of 201.27 g/mol, XLogP of 0.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-hydroxy-2-piperidin-1-ylbutanoate is sourced from PubChem (CID 105453618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).