[5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine

C16H21ClN2O — CID 155469053

IUPAC[5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine
SMILES[H]/N=C/c1cc(Cl)c(C2CCN(C3COC3)CC2)cc1C
InChIInChI=1S/C16H21ClN2O/c1-11-6-15(16(17)7-13(11)8-18)12-2-4-19(5-3-12)14-9-20-10-14/h6-8,12,14,18H,2-5,9-10H2,1H3/b18-8+
InChIKeyKBEGAHLIBQJGNG-QGMBQPNBSA-N
MW292.81 g/mol
LogP3.22
Rot. Bonds3

About [5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine

[5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine (PubChem CID 155469053) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is [5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine.

Molecular Properties

Compound Name[5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine
PubChem CID155469053
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name[5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine
SMILES[H]/N=C/c1cc(Cl)c(C2CCN(C3COC3)CC2)cc1C
InChIInChI=1S/C16H21ClN2O/c1-11-6-15(16(17)7-13(11)8-18)12-2-4-19(5-3-12)14-9-20-10-14/h6-8,12,14,18H,2-5,9-10H2,1H3/b18-8+
InChIKeyKBEGAHLIBQJGNG-QGMBQPNBSA-N
XLogP3.22
TPSA36.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1-[6-[2-methanimidoyl-4-methyl-5-[1-(oxetan-3-yl)piperidin-4-yl]anilino]-2-methoxypyrimidin-4-yl]-3-methylazetidin-3-ol
CID 145234188
N-[2-methanimidoyl-4-methyl-5-[1-(oxolan-3-yl)piperidin-4-yl]phenyl]-2-methoxy-6-(2-oxa-5-azabicyclo[2.2.1]heptan-5-yl)pyrimidin-4-amine
CID 135273877
3-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
CID 118980027
N-[4-chloro-2-methanimidoyl-5-[2-methyl-4-(oxetan-3-yl)piperazin-1-yl]phenyl]-1-methylpyrazol-4-amine
CID 155735071
5-chloro-1-(1-methylpyrazol-4-yl)-6-[1-[(3R)-oxolan-3-yl]piperidin-4-yl]indazole
CID 162502647
N-[2-methanimidoyl-4-methyl-5-[2-methyl-1-(oxetan-3-yl)piperidin-4-yl]phenyl]-2-methyl-6-morpholin-4-ylpyrimidin-4-amine
CID 135278572
4-chloro-N-[3-fluoro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,3,5-triazin-2-amine
CID 118979301
2-methoxy-4-[1-(oxetan-3-yl)piperidin-4-yl]aniline
CID 118464994
(7S)-2-methyl-7-[4-(2,3,4,5-tetramethylphenyl)piperidin-1-yl]-5-oxa-2-azaspiro[3.4]octane
CID 170384202
4-[(3S)-3-[2-chloro-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]-1,4-oxazepan-4-yl]-6-methylpyrimidin-2-amine
CID 146215169
1-[6-[5-chloro-6-[1-(oxolan-3-yl)piperidin-4-yl]indazol-1-yl]-2-methylpyrimidin-4-yl]azetidin-3-ol
CID 135276399
ethane;4-methyl-1-(oxetan-3-yl)piperidine
CID 145049644

Frequently Asked Questions

What is the IUPAC name of [5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine?
The IUPAC name of [5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine (CID 155469053) is [5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine.
What is the SMILES notation for [5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine?
The canonical SMILES for [5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine is [H]/N=C/c1cc(Cl)c(C2CCN(C3COC3)CC2)cc1C.
What is the InChIKey of [5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine?
The InChIKey is KBEGAHLIBQJGNG-QGMBQPNBSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-11-6-15(16(17)7-13(11)8-18)12-2-4-19(5-3-12)14-9-20-10-14/h6-8,12,14,18H,2-5,9-10H2,1H3/b18-8+.
What are the key properties of [5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine?
[5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine has a molecular weight of 292.81 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-2-methyl-4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methanimine is sourced from PubChem (CID 155469053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).