5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile

C16H23N3O — CID 65341307

IUPAC5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
SMILESCCN(Cc1ccc(OC)c(C#N)c1)C1CCCNC1
InChIInChI=1S/C16H23N3O/c1-3-19(15-5-4-8-18-11-15)12-13-6-7-16(20-2)14(9-13)10-17/h6-7,9,15,18H,3-5,8,11-12H2,1-2H3
InChIKeyQWBASYJFTXCPGF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.14
Rot. Bonds5

About 5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile

5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile (PubChem CID 65341307) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile.

Molecular Properties

Compound Name5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
PubChem CID65341307
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile
SMILESCCN(Cc1ccc(OC)c(C#N)c1)C1CCCNC1
InChIInChI=1S/C16H23N3O/c1-3-19(15-5-4-8-18-11-15)12-13-6-7-16(20-2)14(9-13)10-17/h6-7,9,15,18H,3-5,8,11-12H2,1-2H3
InChIKeyQWBASYJFTXCPGF-UHFFFAOYSA-N
XLogP2.14
TPSA48.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204949
5-[[cyclopropyl(propyl)amino]methyl]-2-methoxybenzonitrile
CID 65344348
2-methoxy-5-[[piperidin-3-yl(propyl)amino]methyl]phenol
CID 63637767
N-ethyl-N-[(4-methoxy-3-nitrophenyl)methyl]pyrrolidin-3-amine
CID 63299916
4-[[ethyl(pyrrolidin-3-yl)amino]methyl]-2-methoxyphenol
CID 55204759
5-[[cyclopropyl(methyl)amino]methyl]-2-methoxybenzonitrile
CID 65344253
2-bromo-4-[[ethyl(piperidin-3-yl)amino]methyl]-6-methoxyphenol
CID 63644353
4-[[ethyl(piperidin-3-yl)amino]methyl]phenol
CID 63643977
methyl 3-[[ethyl(piperidin-3-yl)amino]methyl]benzoate
CID 63636262
2-[ethyl(piperidin-3-yl)amino]-4-methoxybenzonitrile
CID 81304790
5-[[cyclopropylmethyl(ethyl)amino]methyl]-2-methoxybenzonitrile
CID 65343933
2-[(3-cyano-4-methoxyphenyl)methyl-cyclopropylamino]acetic acid
CID 65340637

Frequently Asked Questions

What is the IUPAC name of 5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile?
The IUPAC name of 5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile (CID 65341307) is 5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile.
What is the SMILES notation for 5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile?
The canonical SMILES for 5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile is CCN(Cc1ccc(OC)c(C#N)c1)C1CCCNC1.
What is the InChIKey of 5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile?
The InChIKey is QWBASYJFTXCPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-3-19(15-5-4-8-18-11-15)12-13-6-7-16(20-2)14(9-13)10-17/h6-7,9,15,18H,3-5,8,11-12H2,1-2H3.
What are the key properties of 5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile?
5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile has a molecular weight of 273.38 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[ethyl(piperidin-3-yl)amino]methyl]-2-methoxybenzonitrile is sourced from PubChem (CID 65341307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).