ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate

C17H26N2O2 — CID 79537495

IUPACethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(C)CC2CCCCN2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-21-17(20)14-7-9-15(10-8-14)19-13(2)12-16-6-4-5-11-18-16/h7-10,13,16,18-19H,3-6,11-12H2,1-2H3
InChIKeyLQAZMMAIDCXEMX-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.20
Rot. Bonds6

About ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate

ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate (PubChem CID 79537495) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate.

Molecular Properties

Compound Nameethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
PubChem CID79537495
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Nameethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate
SMILESCCOC(=O)c1ccc(NC(C)CC2CCCCN2)cc1
InChIInChI=1S/C17H26N2O2/c1-3-21-17(20)14-7-9-15(10-8-14)19-13(2)12-16-6-4-5-11-18-16/h7-10,13,16,18-19H,3-6,11-12H2,1-2H3
InChIKeyLQAZMMAIDCXEMX-UHFFFAOYSA-N
XLogP3.20
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-(pyrrolidin-2-ylmethylamino)benzoate
CID 106636876
N-methyl-4-(1-pyrrolidin-2-ylpropan-2-ylamino)benzamide
CID 79540902
2-[4-(1-piperidin-2-ylpropan-2-ylamino)phenoxy]acetamide
CID 79538614
N-(1-piperidin-2-ylpropan-2-yl)-4-propan-2-yloxyaniline
CID 79549390
2-methyl-N-[4-(1-pyrrolidin-2-ylpropan-2-ylamino)phenyl]propanamide
CID 79537703
N-[1-(azepan-2-yl)propan-2-yl]-4-chloroaniline
CID 79553516
ethyl 4-(1-aminopropan-2-ylamino)benzoate
CID 103387755
ethyl 4-(azepane-2-carbonylamino)benzoate
CID 64564434
4-propan-2-yl-N-(1-pyrrolidin-2-ylpropan-2-yl)aniline
CID 79541004
ethyl 4-(2-piperidin-2-ylethoxy)benzoate;hydrochloride
CID 56829802
3-chloro-4-methyl-N-(1-piperidin-2-ylpropan-2-yl)aniline
CID 79549743
N-[1-(azepan-2-yl)propan-2-yl]-3-bromo-4-methylaniline
CID 79559813

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate?
The IUPAC name of ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate (CID 79537495) is ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate.
What is the SMILES notation for ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate?
The canonical SMILES for ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate is CCOC(=O)c1ccc(NC(C)CC2CCCCN2)cc1.
What is the InChIKey of ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate?
The InChIKey is LQAZMMAIDCXEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-17(20)14-7-9-15(10-8-14)19-13(2)12-16-6-4-5-11-18-16/h7-10,13,16,18-19H,3-6,11-12H2,1-2H3.
What are the key properties of ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate?
ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate has a molecular weight of 290.41 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(1-piperidin-2-ylpropan-2-ylamino)benzoate is sourced from PubChem (CID 79537495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).