[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol

C35H36FNO2 — CID 134579644

IUPAC[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol
SMILESOCC1(F)CCN(c2ccc([C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3c3ccccc3)cc2)CC1
InChIInChI=1S/C35H36FNO2/c36-35(25-38)19-21-37(22-20-35)30-14-11-28(12-15-30)34-32(27-9-5-2-6-10-27)17-13-29-23-31(16-18-33(29)34)39-24-26-7-3-1-4-8-26/h1-12,14-16,18,23,32,34,38H,13,17,19-22,24-25H2/t32-,34+/m1/s1
InChIKeyRHODSWVEYREWHM-CWTKIQHKSA-N
MW521.68 g/mol
LogP7.43
Rot. Bonds7

About [4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol

[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol (PubChem CID 134579644) has the molecular formula C35H36FNO2 and a molecular weight of 521.68 g/mol. Its IUPAC name is [4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol.

Molecular Properties

Compound Name[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol
PubChem CID134579644
Molecular FormulaC35H36FNO2
Molecular Weight521.68 g/mol
Exact Mass521.27
IUPAC Name[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol
SMILESOCC1(F)CCN(c2ccc([C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3c3ccccc3)cc2)CC1
InChIInChI=1S/C35H36FNO2/c36-35(25-38)19-21-37(22-20-35)30-14-11-28(12-15-30)34-32(27-9-5-2-6-10-27)17-13-29-23-31(16-18-33(29)34)39-24-26-7-3-1-4-8-26/h1-12,14-16,18,23,32,34,38H,13,17,19-22,24-25H2/t32-,34+/m1/s1
InChIKeyRHODSWVEYREWHM-CWTKIQHKSA-N
XLogP7.43
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.68
LogP ≤ 57.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

fluoromethane;1-[4-[(2S)-2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]-4-methylidenepiperidine;methane
CID 142368158
[4-[(1R)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] acetate
CID 146587686
4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]benzenecarboximidamide
CID 142367448
5-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentane-1,3-diol
CID 134580274
[4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl] 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
CID 142367521
2,2-dimethoxyethanol;ethane;(5R,6S)-6-phenyl-5-(4-pyrrolidin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 142368171
1-[4-(2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)phenyl]-4-[2-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrazol-1-yl]ethyl]piperidine
CID 148704434
tert-butyl 2-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]acetate
CID 167478416
2-[4-[4-[2-(4-fluorophenyl)-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]cyclohexyl]oxyethanol
CID 134580068
bromomethane;chloromethane;ethane;1-[4-(4-methylpentoxy)phenyl]-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalene
CID 142368175
methyl 4-oxo-5-[4-[(2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenoxy]pentanoate
CID 134579575
(5R,6S)-6-phenyl-5-(4-piperazin-1-ylphenyl)-5,6,7,8-tetrahydronaphthalen-2-ol
CID 134579787

Frequently Asked Questions

What is the IUPAC name of [4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol?
The IUPAC name of [4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol (CID 134579644) is [4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol.
What is the SMILES notation for [4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol?
The canonical SMILES for [4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol is OCC1(F)CCN(c2ccc([C@@H]3c4ccc(OCc5ccccc5)cc4CC[C@@H]3c3ccccc3)cc2)CC1.
What is the InChIKey of [4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol?
The InChIKey is RHODSWVEYREWHM-CWTKIQHKSA-N. The full InChI is InChI=1S/C35H36FNO2/c36-35(25-38)19-21-37(22-20-35)30-14-11-28(12-15-30)34-32(27-9-5-2-6-10-27)17-13-29-23-31(16-18-33(29)34)39-24-26-7-3-1-4-8-26/h1-12,14-16,18,23,32,34,38H,13,17,19-22,24-25H2/t32-,34+/m1/s1.
What are the key properties of [4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol?
[4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol has a molecular weight of 521.68 g/mol, XLogP of 7.43, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-fluoro-1-[4-[(1R,2S)-2-phenyl-6-phenylmethoxy-1,2,3,4-tetrahydronaphthalen-1-yl]phenyl]piperidin-4-yl]methanol is sourced from PubChem (CID 134579644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).