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

C15H22N2O2 — CID 67707664

IUPACmethyl 2-[2-(benzylamino)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCCCC1NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-19-15(18)12-17-10-6-5-9-14(17)16-11-13-7-3-2-4-8-13/h2-4,7-8,14,16H,5-6,9-12H2,1H3
InChIKeyBXLCQIDETBVGHE-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.76
Rot. Bonds5

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

methyl 2-[2-(benzylamino)piperidin-1-yl]acetate (PubChem CID 67707664) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-[2-(benzylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[2-(benzylamino)piperidin-1-yl]acetate
PubChem CID67707664
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-[2-(benzylamino)piperidin-1-yl]acetate
SMILESCOC(=O)CN1CCCCC1NCc1ccccc1
InChIInChI=1S/C15H22N2O2/c1-19-15(18)12-17-10-6-5-9-14(17)16-11-13-7-3-2-4-8-13/h2-4,7-8,14,16H,5-6,9-12H2,1H3
InChIKeyBXLCQIDETBVGHE-UHFFFAOYSA-N
XLogP1.76
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(benzylamino)azepane-1-carboxylic acid
CID 69150253
methyl 1-benzylpiperidine-2-carboxylate
CID 10443988
methyl 2-[(5aS,8aS)-7-benzoyl-2,3,4,5,5a,6,8,8a-octahydropyrrolo[3,4-b]azepin-1-yl]acetate
CID 92610582
methyl 2-[1-(3-phenylpropyl)piperidin-2-yl]acetate
CID 61034555
methyl 2-(benzylamino)cyclohexane-1-carboxylate
CID 171324800
methyl 2-[(3R)-2-oxo-3-(phenylmethoxycarbonylamino)piperidin-1-yl]acetate
CID 71228630
methyl 2-[(2R)-2-(furan-2-yl)azepan-1-yl]acetate
CID 95632349
methyl 2-[(3S)-3-[methyl(phenylmethoxycarbonyl)amino]-2-oxopiperidin-1-yl]acetate
CID 59056687
1-(2-methylpiperidin-1-yl)-3-phenylpropan-2-one
CID 43794410
1-N,2-N-dibenzylpyrrolidine-1,2-diamine
CID 139933372
methyl 3-(benzylamino)cyclopentane-1-carboxylate
CID 67382791
methyl (1S)-3-(benzylamino)cyclopentane-1-carboxylate
CID 54515313

Frequently Asked Questions

What is the IUPAC name of methyl 2-[2-(benzylamino)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[2-(benzylamino)piperidin-1-yl]acetate (CID 67707664) is methyl 2-[2-(benzylamino)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[2-(benzylamino)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[2-(benzylamino)piperidin-1-yl]acetate is COC(=O)CN1CCCCC1NCc1ccccc1.
What is the InChIKey of methyl 2-[2-(benzylamino)piperidin-1-yl]acetate?
The InChIKey is BXLCQIDETBVGHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-15(18)12-17-10-6-5-9-14(17)16-11-13-7-3-2-4-8-13/h2-4,7-8,14,16H,5-6,9-12H2,1H3.
What are the key properties of methyl 2-[2-(benzylamino)piperidin-1-yl]acetate?
methyl 2-[2-(benzylamino)piperidin-1-yl]acetate has a molecular weight of 262.35 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[2-(benzylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 67707664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).