methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate

C17H25NO3 — CID 62394914

IUPACmethyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
SMILESCCC(C(=O)OC)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-3-15(16(19)21-2)17(20)9-11-18(12-10-17)13-14-7-5-4-6-8-14/h4-8,15,20H,3,9-13H2,1-2H3
InChIKeyUPHDZOKJLAYKSY-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.21
Rot. Bonds5

About methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate

methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate (PubChem CID 62394914) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate.

Molecular Properties

Compound Namemethyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
PubChem CID62394914
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Namemethyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate
SMILESCCC(C(=O)OC)C1(O)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C17H25NO3/c1-3-15(16(19)21-2)17(20)9-11-18(12-10-17)13-14-7-5-4-6-8-14/h4-8,15,20H,3,9-13H2,1-2H3
InChIKeyUPHDZOKJLAYKSY-UHFFFAOYSA-N
XLogP2.21
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1-benzyl-4-hydroxypiperidin-4-yl)pentan-2-one
CID 145155415
methyl 4-amino-1-benzylpiperidine-4-carboxylate
CID 3044632
methyl 2-(4-hydroxy-1-propylpiperidin-4-yl)butanoate
CID 62394199
4-(1-aminopentan-2-yl)-1-benzylpiperidin-4-ol
CID 165448564
tert-butyl 2-amino-2-(1-benzyl-4-hydroxypiperidin-4-yl)acetate
CID 69414976
ethyl 1-benzyl-4-[hydroxy(methoxy)methyl]piperidine-4-carboxylate
CID 163783877
hydroxylamine;methyl 1-benzyl-3-ethylpyrrolidine-3-carboxylate
CID 143488487
1-benzyl-4-(butan-2-ylamino)piperidine-4-carboxylic acid
CID 61024423
methyl 1-(4-benzylpiperazin-1-yl)cyclopropane-1-carboxylate
CID 164519909
2-(1-benzyl-3-hydroxypyrrolidin-3-yl)propanoic acid
CID 55071707
methyl 3-amino-2-(1-benzylpiperidin-4-yl)propanoate
CID 83826140
4-[1-(1-benzyl-4-hydroxypiperidin-4-yl)ethyl]benzoic acid
CID 68967376

Frequently Asked Questions

What is the IUPAC name of methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate?
The IUPAC name of methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate (CID 62394914) is methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate.
What is the SMILES notation for methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate?
The canonical SMILES for methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate is CCC(C(=O)OC)C1(O)CCN(Cc2ccccc2)CC1.
What is the InChIKey of methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate?
The InChIKey is UPHDZOKJLAYKSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-3-15(16(19)21-2)17(20)9-11-18(12-10-17)13-14-7-5-4-6-8-14/h4-8,15,20H,3,9-13H2,1-2H3.
What are the key properties of methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate?
methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate has a molecular weight of 291.39 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(1-benzyl-4-hydroxypiperidin-4-yl)butanoate is sourced from PubChem (CID 62394914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).