methyl 2-[4-(propylamino)piperidin-1-yl]acetate

C11H22N2O2 — CID 145098140

IUPACmethyl 2-[4-(propylamino)piperidin-1-yl]acetate
SMILESCCCNC1CCN(CC(=O)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-3-6-12-10-4-7-13(8-5-10)9-11(14)15-2/h10,12H,3-9H2,1-2H3
InChIKeyZOLWMUNBUIHSER-UHFFFAOYSA-N
MW214.31 g/mol
LogP0.62
Rot. Bonds5

About methyl 2-[4-(propylamino)piperidin-1-yl]acetate

methyl 2-[4-(propylamino)piperidin-1-yl]acetate (PubChem CID 145098140) has the molecular formula C11H22N2O2 and a molecular weight of 214.31 g/mol. Its IUPAC name is methyl 2-[4-(propylamino)piperidin-1-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(propylamino)piperidin-1-yl]acetate
PubChem CID145098140
Molecular FormulaC11H22N2O2
Molecular Weight214.31 g/mol
Exact Mass214.17
IUPAC Namemethyl 2-[4-(propylamino)piperidin-1-yl]acetate
SMILESCCCNC1CCN(CC(=O)OC)CC1
InChIInChI=1S/C11H22N2O2/c1-3-6-12-10-4-7-13(8-5-10)9-11(14)15-2/h10,12H,3-9H2,1-2H3
InChIKeyZOLWMUNBUIHSER-UHFFFAOYSA-N
XLogP0.62
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2-[methyl(piperidin-4-yl)amino]acetate dihydrochloride
CID 22378095
Tert-butyl 2-(4-aminopiperidin-1-yl)acetate
CID 43556576
Methyl (4-amino-1-piperidinyl)acetate dihydrochloride
CID 44120477
Methyl 2-(cyclohexylamino)acetate
CID 11480703
Methyl 2-(3-aminopiperidin-1-yl)acetate dihydrochloride
CID 75527804
Methyl 2-(3-cyclopropylpiperazin-1-yl)acetate
CID 177798120
ethyl N-methyl-N-(1-propyl-4-piperidinyl)glycinate
CID 2846613
Butyl 2-(4-aminopiperidin-1-yl)acetate
CID 10608685
(2S)-2-(piperidin-4-ylamino)propanoic acid
CID 54248522
methyl 2-[(3S)-3-(2,2,2-trifluoroethylamino)piperidin-1-yl]acetate
CID 164633061
Methyl 2-(4-aminopiperidin-1-yl)acetate
CID 11435206
(3-Amino-piperidin-1-yl)-acetic acid methyl ester
CID 61295580

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(propylamino)piperidin-1-yl]acetate?
The IUPAC name of methyl 2-[4-(propylamino)piperidin-1-yl]acetate (CID 145098140) is methyl 2-[4-(propylamino)piperidin-1-yl]acetate.
What is the SMILES notation for methyl 2-[4-(propylamino)piperidin-1-yl]acetate?
The canonical SMILES for methyl 2-[4-(propylamino)piperidin-1-yl]acetate is CCCNC1CCN(CC(=O)OC)CC1.
What is the InChIKey of methyl 2-[4-(propylamino)piperidin-1-yl]acetate?
The InChIKey is ZOLWMUNBUIHSER-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N2O2/c1-3-6-12-10-4-7-13(8-5-10)9-11(14)15-2/h10,12H,3-9H2,1-2H3.
What are the key properties of methyl 2-[4-(propylamino)piperidin-1-yl]acetate?
methyl 2-[4-(propylamino)piperidin-1-yl]acetate has a molecular weight of 214.31 g/mol, XLogP of 0.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(propylamino)piperidin-1-yl]acetate is sourced from PubChem (CID 145098140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).