4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol

C21H25ClN2O2 — CID 135596533

IUPAC4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
SMILESCOc1ccc([C@H](C/N=C/c2cc(Cl)ccc2O)N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-26-19-8-5-16(6-9-19)20(24-11-3-2-4-12-24)15-23-14-17-13-18(22)7-10-21(17)25/h5-10,13-14,20,25H,2-4,11-12,15H2,1H3/b23-14+/t20-/m0/s1
InChIKeyUHOQIWSBWNDSRO-BTVXTAIASA-N
MW372.90 g/mol
LogP4.70
Rot. Bonds6

About 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol

4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol (PubChem CID 135596533) has the molecular formula C21H25ClN2O2 and a molecular weight of 372.90 g/mol. Its IUPAC name is 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol.

Molecular Properties

Compound Name4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
PubChem CID135596533
Molecular FormulaC21H25ClN2O2
Molecular Weight372.90 g/mol
Exact Mass372.16
IUPAC Name4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
SMILESCOc1ccc([C@H](C/N=C/c2cc(Cl)ccc2O)N2CCCCC2)cc1
InChIInChI=1S/C21H25ClN2O2/c1-26-19-8-5-16(6-9-19)20(24-11-3-2-4-12-24)15-23-14-17-13-18(22)7-10-21(17)25/h5-10,13-14,20,25H,2-4,11-12,15H2,1H3/b23-14+/t20-/m0/s1
InChIKeyUHOQIWSBWNDSRO-BTVXTAIASA-N
XLogP4.70
TPSA45.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.90
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596199
4-methoxy-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ylethyl]iminomethyl]phenol
CID 135596201
4-methoxy-2-[[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]iminomethyl]phenol
CID 135758319
2-ethoxy-6-[[(2S)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol
CID 135597885
4-chloro-2-[[(2S)-2-(4-methoxyphenyl)-2-morpholin-4-ium-4-ylethyl]iminomethyl]phenol
CID 135596196
1-[[(2R)-2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]naphthalen-2-ol
CID 135757849
1-[2-chloro-1-(4-methoxyphenyl)ethyl]piperidine
CID 82088353
2-methoxy-6-[[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]iminomethyl]phenol
CID 135758285
2-(2,4-dichlorophenyl)-N-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 17422607
N'-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]piperidine-1-carboximidamide;hydroiodide
CID 111027743
1,3-diethyl-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]guanidine;hydroiodide
CID 110909141
2-[[(2R)-2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]iminomethyl]-4-nitrophenol
CID 135758161

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol?
The IUPAC name of 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol (CID 135596533) is 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol.
What is the SMILES notation for 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol?
The canonical SMILES for 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol is COc1ccc([C@H](C/N=C/c2cc(Cl)ccc2O)N2CCCCC2)cc1.
What is the InChIKey of 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol?
The InChIKey is UHOQIWSBWNDSRO-BTVXTAIASA-N. The full InChI is InChI=1S/C21H25ClN2O2/c1-26-19-8-5-16(6-9-19)20(24-11-3-2-4-12-24)15-23-14-17-13-18(22)7-10-21(17)25/h5-10,13-14,20,25H,2-4,11-12,15H2,1H3/b23-14+/t20-/m0/s1.
What are the key properties of 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol?
4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol has a molecular weight of 372.90 g/mol, XLogP of 4.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]iminomethyl]phenol is sourced from PubChem (CID 135596533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).