methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate

C15H22N2O2 — CID 80555688

IUPACmethyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate
SMILESCOC(=O)C(NCC1CCCNC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-19-15(18)14(13-7-3-2-4-8-13)17-11-12-6-5-9-16-10-12/h2-4,7-8,12,14,16-17H,5-6,9-11H2,1H3
InChIKeyJTMWNJJDYRDIBA-UHFFFAOYSA-N
MW262.35 g/mol
LogP1.49
Rot. Bonds5

About methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate

methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate (PubChem CID 80555688) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate.

Molecular Properties

Compound Namemethyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate
PubChem CID80555688
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Namemethyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate
SMILESCOC(=O)C(NCC1CCCNC1)c1ccccc1
InChIInChI=1S/C15H22N2O2/c1-19-15(18)14(13-7-3-2-4-8-13)17-11-12-6-5-9-16-10-12/h2-4,7-8,12,14,16-17H,5-6,9-11H2,1H3
InChIKeyJTMWNJJDYRDIBA-UHFFFAOYSA-N
XLogP1.49
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S)-2-(piperidin-3-ylmethylamino)propanoate
CID 80554034
methyl 2-(2-cyclohexylethylamino)-2-phenylacetate
CID 78993355
2-phenoxy-2-phenyl-N-(piperidin-3-ylmethyl)acetamide;hydrochloride
CID 119461962
N',N'-dimethyl-1-phenyl-N-(piperidin-3-ylmethyl)ethane-1,2-diamine
CID 80553252
methyl 2-(cyclopropylmethylamino)-2-[3-(difluoromethyl)phenyl]acetate
CID 115527084
3-phenyl-N-(piperidin-3-ylmethyl)pentanamide
CID 119464003
N-[(1R)-1-phenylethyl]-2-piperidin-3-ylacetamide
CID 78953201
methyl 2-(cyclopropylmethylamino)-2-(3,4-dibromophenyl)acetate
CID 114077398
2-phenoxy-N-(piperidin-3-ylmethyl)acetamide
CID 60725547
[4-[1-(piperidin-3-ylmethylamino)ethyl]phenyl]urea
CID 80554120
N-(1-phenylpropyl)-2-piperidin-3-ylacetamide
CID 62689711
N-(piperidin-3-ylmethyl)benzamide;hydrochloride
CID 119461032

Frequently Asked Questions

What is the IUPAC name of methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate?
The IUPAC name of methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate (CID 80555688) is methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate.
What is the SMILES notation for methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate?
The canonical SMILES for methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate is COC(=O)C(NCC1CCCNC1)c1ccccc1.
What is the InChIKey of methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate?
The InChIKey is JTMWNJJDYRDIBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-19-15(18)14(13-7-3-2-4-8-13)17-11-12-6-5-9-16-10-12/h2-4,7-8,12,14,16-17H,5-6,9-11H2,1H3.
What are the key properties of methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate?
methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate has a molecular weight of 262.35 g/mol, XLogP of 1.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-phenyl-2-(piperidin-3-ylmethylamino)acetate is sourced from PubChem (CID 80555688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).