2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol

C19H21ClN2O — CID 135595403

IUPAC2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1/C=N/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-6-7-19(23)16(12-17)13-21-18-8-10-22(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18,23H,8-11,14H2/b21-13+
InChIKeyHXYIUAYNPNSCEO-FYJGNVAPSA-N
MW328.84 g/mol
LogP4.13
Rot. Bonds4

About 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol

2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol (PubChem CID 135595403) has the molecular formula C19H21ClN2O and a molecular weight of 328.84 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol
PubChem CID135595403
Molecular FormulaC19H21ClN2O
Molecular Weight328.84 g/mol
Exact Mass328.13
IUPAC Name2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol
SMILESOc1ccc(Cl)cc1/C=N/C1CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H21ClN2O/c20-17-6-7-19(23)16(12-17)13-21-18-8-10-22(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18,23H,8-11,14H2/b21-13+
InChIKeyHXYIUAYNPNSCEO-FYJGNVAPSA-N
XLogP4.13
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.84
LogP ≤ 54.13
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

2-[[(3R)-1-benzylpyrrolidin-3-yl]iminomethyl]-4-chlorophenol
CID 135598272
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-nitrophenol
CID 135595401
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-methyl-6-triphenylsilylphenol
CID 136711915
4-chloro-2-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135829042
2-[(Z)-(4-benzylpiperazin-1-yl)iminomethyl]-4-bromophenol
CID 135936131
4-chloro-2-[[2-(morpholin-4-ylmethyl)phenyl]methyliminomethyl]phenol
CID 135818068
4-benzyl-1-[(3-chlorophenyl)methyl]piperidine
CID 785748
5-[(1-benzylpiperidin-4-yl)iminomethyl]-6-hydroxy-1-methyl-2-sulfanylidenepyrimidin-4-one
CID 1418240
N-[(5-bromo-2-hydroxyphenyl)methylideneamino]-1-[(4-chlorophenyl)methyl]piperidine-4-carboxamide
CID 1273523
4-chloro-2-[[(2R)-1-hydroxy-3-phenylpropan-2-yl]iminomethyl]phenol
CID 145079806
[1-[(3-chlorophenyl)methyl]piperidin-4-yl]methanol
CID 47035134
1-[(3-chlorophenyl)methyl]piperidin-4-amine
CID 12641838

Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol (CID 135595403) is 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol is Oc1ccc(Cl)cc1/C=N/C1CCN(Cc2ccccc2)CC1.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol?
The InChIKey is HXYIUAYNPNSCEO-FYJGNVAPSA-N. The full InChI is InChI=1S/C19H21ClN2O/c20-17-6-7-19(23)16(12-17)13-21-18-8-10-22(11-9-18)14-15-4-2-1-3-5-15/h1-7,12-13,18,23H,8-11,14H2/b21-13+.
What are the key properties of 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol?
2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol has a molecular weight of 328.84 g/mol, XLogP of 4.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)iminomethyl]-4-chlorophenol is sourced from PubChem (CID 135595403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).