ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate

C18H28N2O2 — CID 83993494

IUPACethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NCc2ccccc2)CN(CC)C1
InChIInChI=1S/C18H28N2O2/c1-3-20-13-16(11-18(21)22-4-2)10-17(14-20)19-12-15-8-6-5-7-9-15/h5-9,16-17,19H,3-4,10-14H2,1-2H3
InChIKeyAJQYZRXAWOQXSO-UHFFFAOYSA-N
MW304.43 g/mol
LogP2.44
Rot. Bonds7

About ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate

ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate (PubChem CID 83993494) has the molecular formula C18H28N2O2 and a molecular weight of 304.43 g/mol. Its IUPAC name is ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
PubChem CID83993494
Molecular FormulaC18H28N2O2
Molecular Weight304.43 g/mol
Exact Mass304.22
IUPAC Nameethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate
SMILESCCOC(=O)CC1CC(NCc2ccccc2)CN(CC)C1
InChIInChI=1S/C18H28N2O2/c1-3-20-13-16(11-18(21)22-4-2)10-17(14-20)19-12-15-8-6-5-7-9-15/h5-9,16-17,19H,3-4,10-14H2,1-2H3
InChIKeyAJQYZRXAWOQXSO-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-[1-acetyl-5-(benzylamino)piperidin-3-yl]acetate
CID 83993679
methyl 2-[5-(benzylamino)-1-propylpiperidin-3-yl]acetate
CID 83993524
N-benzyl-5-(2,2-dimethylpropyl)-1-ethylpiperidin-3-amine
CID 83993485
methyl 2-[3-(benzylamino)-5-(2-hydroxyethyl)piperidin-1-yl]acetate
CID 83994019
2-[5-(benzylamino)-1-butanoylpiperidin-3-yl]acetic acid
CID 83993716
ethyl 2-[1-methyl-5-(phenylmethoxycarbonylamino)piperidin-3-yl]acetate
CID 112544906
ethyl 3-(benzylamino)-5-propan-2-ylpiperidine-1-carboxylate
CID 83993632
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
2-[5-(benzylamino)-1-butan-2-ylpiperidin-3-yl]acetic acid
CID 83993816
N-benzyl-1-(cyclobutylmethyl)-5-ethylpiperidin-3-amine
CID 83993960
3-(benzylamino)-5-propylpiperidine-1-carboxamide
CID 83993642

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate?
The IUPAC name of ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate (CID 83993494) is ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate is CCOC(=O)CC1CC(NCc2ccccc2)CN(CC)C1.
What is the InChIKey of ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate?
The InChIKey is AJQYZRXAWOQXSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O2/c1-3-20-13-16(11-18(21)22-4-2)10-17(14-20)19-12-15-8-6-5-7-9-15/h5-9,16-17,19H,3-4,10-14H2,1-2H3.
What are the key properties of ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate?
ethyl 2-[5-(benzylamino)-1-ethylpiperidin-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 ethyl 2-[5-(benzylamino)-1-ethylpiperidin-3-yl]acetate is sourced from PubChem (CID 83993494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).