(1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate

C17H26N2O2 — CID 138483088

IUPAC(1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate
SMILESCNCC(C(=O)OCC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-18-12-16(15-6-4-3-5-7-15)17(20)21-13-14-8-10-19(2)11-9-14/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyWGWYGWPINVJDGX-UHFFFAOYSA-N
MW290.41 g/mol
LogP1.87
Rot. Bonds6

About (1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate

(1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate (PubChem CID 138483088) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is (1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate.

Molecular Properties

Compound Name(1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate
PubChem CID138483088
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name(1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate
SMILESCNCC(C(=O)OCC1CCN(C)CC1)c1ccccc1
InChIInChI=1S/C17H26N2O2/c1-18-12-16(15-6-4-3-5-7-15)17(20)21-13-14-8-10-19(2)11-9-14/h3-7,14,16,18H,8-13H2,1-2H3
InChIKeyWGWYGWPINVJDGX-UHFFFAOYSA-N
XLogP1.87
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

cyclopropylmethyl 3-amino-2-phenylpropanoate
CID 62878848
3-amino-N-(1-methylpiperidin-4-yl)-2-phenylpropanamide
CID 62877300
(1-methylpiperidin-4-yl)methyl 2-[(4-methylthiophen-2-yl)methylamino]-2-phenylacetate
CID 138482937
(1-methylpiperidin-4-yl)methyl (1E)-3-amino-2-methyl-N-phenylpropanehydrazonate
CID 142337279
3-amino-N-[(1-methylpiperidin-4-yl)methyl]-3-phenylpropanamide;dihydrochloride
CID 119953459
(2S)-N-(1-methylpiperidin-4-yl)-2-phenylbutanamide
CID 1246145
N'-hydroxy-3-[(1-methylpyrrolidin-3-yl)methylamino]-2-phenylpropanimidamide
CID 77043943
3-(methylamino)-2-phenylpropanoic acid;hydrochloride
CID 134828159
2-[3-(methoxymethyl)pyrrolidin-1-yl]-N-methyl-2-phenylethanamine
CID 64583795
3-[methyl-[(1-methylpyrrolidin-3-yl)methyl]amino]-2-phenylpropanoic acid
CID 63275293
2-(3-ethylpyrrolidin-1-yl)-N-methyl-2-phenylethanamine
CID 113419035
2-amino-1-[4-(methoxymethyl)piperidin-1-yl]-2-phenylethanone
CID 63979773

Frequently Asked Questions

What is the IUPAC name of (1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate?
The IUPAC name of (1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate (CID 138483088) is (1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate.
What is the SMILES notation for (1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate?
The canonical SMILES for (1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate is CNCC(C(=O)OCC1CCN(C)CC1)c1ccccc1.
What is the InChIKey of (1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate?
The InChIKey is WGWYGWPINVJDGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-18-12-16(15-6-4-3-5-7-15)17(20)21-13-14-8-10-19(2)11-9-14/h3-7,14,16,18H,8-13H2,1-2H3.
What are the key properties of (1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate?
(1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate has a molecular weight of 290.41 g/mol, XLogP of 1.87, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-methylpiperidin-4-yl)methyl 3-(methylamino)-2-phenylpropanoate is sourced from PubChem (CID 138483088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).