(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol

C34H36N2O — CID 45258806

IUPAC(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
SMILESC[C@H]([C@H](O)c1ccc(N=C(c2ccccc2)c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C34H36N2O/c1-26(36-23-21-28(22-24-36)25-27-11-5-2-6-12-27)34(37)31-17-19-32(20-18-31)35-33(29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-20,26,28,34,37H,21-25H2,1H3/t26-,34+/m1/s1
InChIKeyQLEQXRRWIVZMEE-SFRLIIPVSA-N
MW488.68 g/mol
LogP7.23
Rot. Bonds8

About (1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol

(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol (PubChem CID 45258806) has the molecular formula C34H36N2O and a molecular weight of 488.68 g/mol. Its IUPAC name is (1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol.

Molecular Properties

Compound Name(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
PubChem CID45258806
Molecular FormulaC34H36N2O
Molecular Weight488.68 g/mol
Exact Mass488.28
IUPAC Name(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
SMILESC[C@H]([C@H](O)c1ccc(N=C(c2ccccc2)c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1
InChIInChI=1S/C34H36N2O/c1-26(36-23-21-28(22-24-36)25-27-11-5-2-6-12-27)34(37)31-17-19-32(20-18-31)35-33(29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-20,26,28,34,37H,21-25H2,1H3/t26-,34+/m1/s1
InChIKeyQLEQXRRWIVZMEE-SFRLIIPVSA-N
XLogP7.23
TPSA35.83 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.68
LogP ≤ 57.23
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

4-[(2S)-2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol
CID 138753340
(1R,2S)-2-(4-benzylpiperidin-1-yl)-1-(4-bromophenyl)propan-1-ol
CID 45258690
(1R,2R)-1-[4-(8-aminooctylamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol
CID 45258577
5-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]-1,3-dihydrobenzimidazol-2-one
CID 14678964
(1R,2R)-1-[4-(6-aminohexylamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol;trihydrochloride
CID 45258576
1-(4-benzylpiperidin-1-yl)-2-(4-methoxyphenyl)propan-1-ol
CID 159181965
4-benzyl-1-propan-2-ylpiperidine
CID 22959492
4-[(1S,2S)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 6603988
4-[(1R,2R)-3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 54452622
4-[2-(4-benzylpiperidin-1-yl)-1-hydroxypropyl]phenol;2-(1,2-dihydroxyethyl)-3,4-dihydroxy-2H-furan-5-one
CID 54736028
benzoic acid;4-[3-(4-benzylpiperidin-1-yl)-1-hydroxy-2-methylpropyl]phenol
CID 174298684
2-(4-benzylpiperidin-1-yl)-1-phenylpropan-1-one
CID 45258253

Frequently Asked Questions

What is the IUPAC name of (1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol?
The IUPAC name of (1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol (CID 45258806) is (1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol.
What is the SMILES notation for (1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol?
The canonical SMILES for (1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol is C[C@H]([C@H](O)c1ccc(N=C(c2ccccc2)c2ccccc2)cc1)N1CCC(Cc2ccccc2)CC1.
What is the InChIKey of (1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol?
The InChIKey is QLEQXRRWIVZMEE-SFRLIIPVSA-N. The full InChI is InChI=1S/C34H36N2O/c1-26(36-23-21-28(22-24-36)25-27-11-5-2-6-12-27)34(37)31-17-19-32(20-18-31)35-33(29-13-7-3-8-14-29)30-15-9-4-10-16-30/h2-20,26,28,34,37H,21-25H2,1H3/t26-,34+/m1/s1.
What are the key properties of (1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol?
(1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol has a molecular weight of 488.68 g/mol, XLogP of 7.23, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R)-1-[4-(benzhydrylideneamino)phenyl]-2-(4-benzylpiperidin-1-yl)propan-1-ol is sourced from PubChem (CID 45258806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).