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

C18H28N2O2 — CID 83993524

IUPACmethyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate
SMILESCCCN1CC(CC(=O)OC)CC(NCc2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-3-9-20-13-16(11-18(21)22-2)10-17(14-20)19-12-15-7-5-4-6-8-15/h4-8,16-17,19H,3,9-14H2,1-2H3
InChIKeyZTXVAEHGGJQEIZ-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.44
Rot. Bonds7

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

methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate (PubChem CID 83993524) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate
PubChem CID83993524
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Namemethyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate
SMILESCCCN1CC(CC(=O)OC)CC(NCc2ccccc2)C1
InChIInChI=1S/C18H28N2O2/c1-3-9-20-13-16(11-18(21)22-2)10-17(14-20)19-12-15-7-5-4-6-8-15/h4-8,16-17,19H,3,9-14H2,1-2H3
InChIKeyZTXVAEHGGJQEIZ-UHFFFAOYSA-N
XLogP2.44
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
CID 83993494
methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 83994019
methyl 3-[3-(benzylamino)-5-methylpiperidin-1-yl]propanoate
CID 83993992
ethyl 2-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate
CID 83993679
2-[5-(benzylamino)-1-butanoylpiperidin-3-yl]acetic acid
CID 83993716
methyl 2-[1-ethyl-5-(ethylamino)piperidin-3-yl]acetate
CID 83990197
2-[3-(benzylamino)-5-(2,2-dimethylpropyl)piperidin-1-yl]acetic acid
CID 83994003
methyl 2-[1-butyl-5-(cyclobutylmethylamino)piperidin-3-yl]acetate
CID 83997020
2-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]acetic acid
CID 83993816
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642
methyl 3-[5-(ethylamino)-1-propylpiperidin-3-yl]propanoate
CID 83990231
N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
CID 83993485

Frequently Asked Questions

What is the IUPAC name of methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate?
The IUPAC name of methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate (CID 83993524) is methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate.
What is the SMILES notation for methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate?
The canonical SMILES for methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate is CCCN1CC(CC(=O)OC)CC(NCc2ccccc2)C1.
What is the InChIKey of methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate?
The InChIKey is ZTXVAEHGGJQEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-9-20-13-16(11-18(21)22-2)10-17(14-20)19-12-15-7-5-4-6-8-15/h4-8,16-17,19H,3,9-14H2,1-2H3.
What are the key properties of methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate?
methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate has a molecular weight of 304.43 g/mol, XLogP of 2.44, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate is sourced from PubChem (CID 83993524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).