N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine

C20H24N2 — CID 10493884

IUPACN-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine
SMILESC[C@@H](/N=C/c1ccccc1N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H24N2/c1-17(18-10-4-2-5-11-18)21-16-19-12-6-7-13-20(19)22-14-8-3-9-15-22/h2,4-7,10-13,16-17H,3,8-9,14-15H2,1H3/b21-16+/t17-/m1/s1
InChIKeySEXBYPINRLSVGP-GFXBCDTMSA-N
MW292.43 g/mol
LogP4.86
Rot. Bonds4

About N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine

N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine (PubChem CID 10493884) has the molecular formula C20H24N2 and a molecular weight of 292.43 g/mol. Its IUPAC name is N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine.

Molecular Properties

Compound NameN-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine
PubChem CID10493884
Molecular FormulaC20H24N2
Molecular Weight292.43 g/mol
Exact Mass292.19
IUPAC NameN-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine
SMILESC[C@@H](/N=C/c1ccccc1N1CCCCC1)c1ccccc1
InChIInChI=1S/C20H24N2/c1-17(18-10-4-2-5-11-18)21-16-19-12-6-7-13-20(19)22-14-8-3-9-15-22/h2,4-7,10-13,16-17H,3,8-9,14-15H2,1H3/b21-16+/t17-/m1/s1
InChIKeySEXBYPINRLSVGP-GFXBCDTMSA-N
XLogP4.86
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[2-cycloheptyl-1-(2-piperidin-1-ylphenyl)ethyl]-1-(2-piperidin-1-ylphenyl)methanimine
CID 10504604
1-[2-bis[2-[[(1S)-1-phenylethyl]iminomethyl]phenyl]phosphorylphenyl]-N-[(1S)-1-phenylethyl]methanimine
CID 101273212
(E)-3-[2-(azocan-1-yl)phenyl]prop-2-enoic acid
CID 29019087
1-[2-(azepan-1-yl)phenyl]ethanamine
CID 10680362
(1R)-1-[2-(azocan-1-yl)phenyl]ethanamine
CID 28801549
1-(2-propan-2-ylphenyl)pyrrolidine
CID 10607693
1,3-dicyclohexyl-6-hydroxy-5-(1-phenylethyliminomethyl)pyrimidine-2,4-dione
CID 3716632
2-[(2-piperidin-1-ylphenyl)iminomethyl]phenol
CID 2356386
(2-piperazin-1-ylphenyl)methylidenehydrazine
CID 168531294
1-(3-methyl-1-phenylbutyl)piperidine
CID 3056530
1-[(1S)-3-methyl-1-phenylbutyl]piperidine
CID 92967702
methyl 3-(2-piperidin-1-ylphenyl)prop-2-enoate
CID 169479575

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine?
The IUPAC name of N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine (CID 10493884) is N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine.
What is the SMILES notation for N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine?
The canonical SMILES for N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine is C[C@@H](/N=C/c1ccccc1N1CCCCC1)c1ccccc1.
What is the InChIKey of N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine?
The InChIKey is SEXBYPINRLSVGP-GFXBCDTMSA-N. The full InChI is InChI=1S/C20H24N2/c1-17(18-10-4-2-5-11-18)21-16-19-12-6-7-13-20(19)22-14-8-3-9-15-22/h2,4-7,10-13,16-17H,3,8-9,14-15H2,1H3/b21-16+/t17-/m1/s1.
What are the key properties of N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine?
N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine has a molecular weight of 292.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-phenylethyl]-1-(2-piperidin-1-ylphenyl)methanimine is sourced from PubChem (CID 10493884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).