tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate

C14H27NO3 — CID 70085519

IUPACtert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCC(CCO)CC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)6-10-15-8-4-12(5-9-15)7-11-16/h12,16H,4-11H2,1-3H3
InChIKeyAEQRMCULFXECFR-UHFFFAOYSA-N
MW257.37 g/mol
LogP1.81
Rot. Bonds5

About tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate

tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate (PubChem CID 70085519) has the molecular formula C14H27NO3 and a molecular weight of 257.37 g/mol. Its IUPAC name is tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate.

Molecular Properties

Compound Nametert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate
PubChem CID70085519
Molecular FormulaC14H27NO3
Molecular Weight257.37 g/mol
Exact Mass257.20
IUPAC Nametert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate
SMILESCC(C)(C)OC(=O)CCN1CCC(CCO)CC1
InChIInChI=1S/C14H27NO3/c1-14(2,3)18-13(17)6-10-15-8-4-12(5-9-15)7-11-16/h12,16H,4-11H2,1-3H3
InChIKeyAEQRMCULFXECFR-UHFFFAOYSA-N
XLogP1.81
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.37
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

tert-butyl 3-[3-(hydroxymethyl)pyrrolidin-1-yl]propanoate
CID 115643028
tert-butyl 3-[4-(2-morpholin-4-ylethyl)piperidin-1-yl]propanoate
CID 56800818
tert-butyl 3-(3-aminopiperidin-1-yl)propanoate
CID 116662806
tert-butyl 4-(4-propan-2-ylpiperidin-1-yl)butanoate
CID 152973298
tert-butyl 3-(4,4-dimethylazepan-1-yl)propanoate
CID 113241454
tert-butyl 3-(3-piperidin-1-ylpyrrolidin-1-yl)propanoate
CID 115618197
2-[4-(carboxymethyl)-7-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-10-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 69321480
tert-butyl 3-(2-hydroxyethyl)pyrrolidine-1-carboxylate
CID 22594650
tert-butyl 3-[4-[hydroxy(phenyl)methyl]piperidin-1-yl]propanoate
CID 110903431
tert-butyl 3-(1,4-thiazepan-4-yl)propanoate
CID 116662810
tert-butyl 4-[2-[4-[1-(3-methoxy-3-oxopropyl)piperidin-4-yl]piperazin-1-yl]ethyl]piperidine-1-carboxylate
CID 15383398
ethyl 3-[4-(hydroxymethyl)piperidin-1-yl]propanoate
CID 43365504

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate?
The IUPAC name of tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate (CID 70085519) is tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate.
What is the SMILES notation for tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate?
The canonical SMILES for tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate is CC(C)(C)OC(=O)CCN1CCC(CCO)CC1.
What is the InChIKey of tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate?
The InChIKey is AEQRMCULFXECFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO3/c1-14(2,3)18-13(17)6-10-15-8-4-12(5-9-15)7-11-16/h12,16H,4-11H2,1-3H3.
What are the key properties of tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate?
tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate has a molecular weight of 257.37 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[4-(2-hydroxyethyl)piperidin-1-yl]propanoate is sourced from PubChem (CID 70085519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).