(6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

C30H34FNO3 — CID 134580126

IUPAC(6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOC(OC)C1CCN(c2ccc(C3c4ccc(O)cc4CC[C@@H]3c3ccccc3)c(F)c2)CC1
InChIInChI=1S/C30H34FNO3/c1-34-30(35-2)21-14-16-32(17-15-21)23-9-12-27(28(31)19-23)29-25(20-6-4-3-5-7-20)11-8-22-18-24(33)10-13-26(22)29/h3-7,9-10,12-13,18-19,21,25,29-30,33H,8,11,14-17H2,1-2H3/t25-,29?/m1/s1
InChIKeyRFXWPXBKUGOVGB-MIJJZIGMSA-N
MW475.60 g/mol
LogP6.23
Rot. Bonds6

About (6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol

(6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (PubChem CID 134580126) has the molecular formula C30H34FNO3 and a molecular weight of 475.60 g/mol. Its IUPAC name is (6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.

Molecular Properties

Compound Name(6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
PubChem CID134580126
Molecular FormulaC30H34FNO3
Molecular Weight475.60 g/mol
Exact Mass475.25
IUPAC Name(6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol
SMILESCOC(OC)C1CCN(c2ccc(C3c4ccc(O)cc4CC[C@@H]3c3ccccc3)c(F)c2)CC1
InChIInChI=1S/C30H34FNO3/c1-34-30(35-2)21-14-16-32(17-15-21)23-9-12-27(28(31)19-23)29-25(20-6-4-3-5-7-20)11-8-22-18-24(33)10-13-26(22)29/h3-7,9-10,12-13,18-19,21,25,29-30,33H,8,11,14-17H2,1-2H3/t25-,29?/m1/s1
InChIKeyRFXWPXBKUGOVGB-MIJJZIGMSA-N
XLogP6.23
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.60
LogP ≤ 56.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The IUPAC name of (6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol (CID 134580126) is (6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol.
What is the SMILES notation for (6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The canonical SMILES for (6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is COC(OC)C1CCN(c2ccc(C3c4ccc(O)cc4CC[C@@H]3c3ccccc3)c(F)c2)CC1.
What is the InChIKey of (6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
The InChIKey is RFXWPXBKUGOVGB-MIJJZIGMSA-N. The full InChI is InChI=1S/C30H34FNO3/c1-34-30(35-2)21-14-16-32(17-15-21)23-9-12-27(28(31)19-23)29-25(20-6-4-3-5-7-20)11-8-22-18-24(33)10-13-26(22)29/h3-7,9-10,12-13,18-19,21,25,29-30,33H,8,11,14-17H2,1-2H3/t25-,29?/m1/s1.
What are the key properties of (6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol?
(6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol has a molecular weight of 475.60 g/mol, XLogP of 6.23, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-5-[4-[4-(dimethoxymethyl)piperidin-1-yl]-2-fluorophenyl]-6-phenyl-5,6,7,8-tetrahydronaphthalen-2-ol is sourced from PubChem (CID 134580126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).