methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate

C17H26N2O3 — CID 83994019

IUPACmethyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(CCO)CC(NCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-22-17(21)13-19-11-15(7-8-20)9-16(12-19)18-10-14-5-3-2-4-6-14/h2-6,15-16,18,20H,7-13H2,1H3
InChIKeyOFMVXBYXIIOHJJ-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.02
Rot. Bonds7

About methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate

methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate (PubChem CID 83994019) has the molecular formula C17H26N2O3 and a molecular weight of 306.41 g/mol. Its IUPAC name is methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate
PubChem CID83994019
Molecular FormulaC17H26N2O3
Molecular Weight306.41 g/mol
Exact Mass306.19
IUPAC Namemethyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CC(CCO)CC(NCc2ccccc2)C1
InChIInChI=1S/C17H26N2O3/c1-22-17(21)13-19-11-15(7-8-20)9-16(12-19)18-10-14-5-3-2-4-6-14/h2-6,15-16,18,20H,7-13H2,1H3
InChIKeyOFMVXBYXIIOHJJ-UHFFFAOYSA-N
XLogP1.02
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetic acid
CID 83994006
methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate
CID 83993524
2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83994003
2-[5-(benzylamino)-1-cyclopentylpiperidin-3-yl]ethanol
CID 83993832
ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
CID 83993494
methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate
CID 83993992
1-[3-(benzylamino)-5-(3-hydroxypropyl)piperidin-1-yl]butan-1-one
CID 83993717
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
2-[3-(2-hydroxyethyl)-5-(methylamino)piperidin-1-yl]acetic acid
CID 83990025
3-[5-(benzylamino)-1-cyclobutylpiperidin-3-yl]propan-1-ol
CID 83993883
1-[3-(benzylamino)-5-propylpiperidin-1-yl]-2-methylpropan-1-one
CID 83993753
N-benzyl-5-butyl-1-(cyclopropylmethyl)piperidin-3-amine
CID 83993911

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate (CID 83994019) is methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate is COC(=O)CN1CC(CCO)CC(NCc2ccccc2)C1.
What is the InChIKey of methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate?
The InChIKey is OFMVXBYXIIOHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O3/c1-22-17(21)13-19-11-15(7-8-20)9-16(12-19)18-10-14-5-3-2-4-6-14/h2-6,15-16,18,20H,7-13H2,1H3.
What are the key properties of methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate?
methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate has a molecular weight of 306.41 g/mol, XLogP of 1.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate is sourced from PubChem (CID 83994019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).