methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate

C16H24N2O2 — CID 81457170

IUPACmethyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate
SMILESCCC1CN(Cc2ccc(C(=O)OC)cc2)CCC1N
InChIInChI=1S/C16H24N2O2/c1-3-13-11-18(9-8-15(13)17)10-12-4-6-14(7-5-12)16(19)20-2/h4-7,13,15H,3,8-11,17H2,1-2H3
InChIKeyZCDLOPOMXDKVBL-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.03
Rot. Bonds4

About methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate

methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate (PubChem CID 81457170) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate
PubChem CID81457170
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Namemethyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate
SMILESCCC1CN(Cc2ccc(C(=O)OC)cc2)CCC1N
InChIInChI=1S/C16H24N2O2/c1-3-13-11-18(9-8-15(13)17)10-12-4-6-14(7-5-12)16(19)20-2/h4-7,13,15H,3,8-11,17H2,1-2H3
InChIKeyZCDLOPOMXDKVBL-UHFFFAOYSA-N
XLogP2.03
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[(4-methoxycarbonylphenyl)methyl]pyrrolidine-3-carboxylate
CID 112730539
3-ethyl-1-[[4-(methoxymethyl)phenyl]methyl]piperidin-4-amine
CID 81456953
3-ethyl-1-[(4-fluorophenyl)methyl]piperidin-4-amine
CID 81457034
methyl 4-[[(3R)-3-methylpiperidin-1-yl]methyl]benzoate
CID 782095
methyl 4-[(3-ethylpiperazin-1-yl)methyl]benzoate
CID 45072914
3-ethyl-1-[(4-propan-2-ylphenyl)methyl]piperidin-4-amine
CID 81457375
methyl 4-[(3,4-dimethylpyrrolidin-1-yl)methyl]benzoate
CID 79038440
2-[1-[(4-methoxycarbonylphenyl)methyl]piperidin-3-yl]acetic acid
CID 65060247
methyl 4-(azocan-1-ylmethyl)benzoate
CID 28829596
methyl 4-[(4-cyclopropylpiperazin-1-yl)methyl]benzoate
CID 61441365
methyl 1-[(4-ethylphenyl)methyl]pyrrolidine-3-carboxylate
CID 78992354
4-[(4-amino-3-ethylpiperidin-1-yl)methyl]-2-methoxybenzonitrile
CID 106792832

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate?
The IUPAC name of methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate (CID 81457170) is methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate.
What is the SMILES notation for methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate?
The canonical SMILES for methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate is CCC1CN(Cc2ccc(C(=O)OC)cc2)CCC1N.
What is the InChIKey of methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate?
The InChIKey is ZCDLOPOMXDKVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-3-13-11-18(9-8-15(13)17)10-12-4-6-14(7-5-12)16(19)20-2/h4-7,13,15H,3,8-11,17H2,1-2H3.
What are the key properties of methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate?
methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate has a molecular weight of 276.38 g/mol, XLogP of 2.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(4-amino-3-ethylpiperidin-1-yl)methyl]benzoate is sourced from PubChem (CID 81457170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).