[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride

C30H29ClFNO3 — CID 68950038

IUPAC[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2cccc(F)c2)ccc2cc(O)ccc12
InChIInChI=1S/C30H28FNO3.ClH/c31-24-6-4-5-22(19-24)27-13-9-23-20-25(33)10-14-28(23)29(27)30(34)21-7-11-26(12-8-21)35-18-17-32-15-2-1-3-16-32;/h4-14,19-20,33H,1-3,15-18H2;1H
InChIKeyXIIQQYSPJCMFLZ-UHFFFAOYSA-N
MW506.02 g/mol
LogP6.87
Rot. Bonds7

About [2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride

[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride (PubChem CID 68950038) has the molecular formula C30H29ClFNO3 and a molecular weight of 506.02 g/mol. Its IUPAC name is [2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride.

Molecular Properties

Compound Name[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
PubChem CID68950038
Molecular FormulaC30H29ClFNO3
Molecular Weight506.02 g/mol
Exact Mass505.18
IUPAC Name[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride
SMILESCl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2cccc(F)c2)ccc2cc(O)ccc12
InChIInChI=1S/C30H28FNO3.ClH/c31-24-6-4-5-22(19-24)27-13-9-23-20-25(33)10-14-28(23)29(27)30(34)21-7-11-26(12-8-21)35-18-17-32-15-2-1-3-16-32;/h4-14,19-20,33H,1-3,15-18H2;1H
InChIKeyXIIQQYSPJCMFLZ-UHFFFAOYSA-N
XLogP6.87
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.02
LogP ≤ 56.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[2-(azepan-1-yl)ethoxy]phenyl]-[2-(2,4-difluorophenyl)-6-hydroxynaphthalen-1-yl]methanone;hydrochloride
CID 67005075
[2-(2,6-difluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 67004256
[6-hydroxy-2-(2,3,5-trifluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 11237470
[2-(3,4-dihydroxyphenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 19362234
[2-(2,4-difluorophenyl)naphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 123788766
[6-(3-butylsulfonyloxyphenyl)-5-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl] butane-1-sulfonate
CID 19362226
6-phenyl-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol
CID 10296965
2-methoxy-3-[6-methoxy-1-[4-(2-piperidin-1-ylethoxy)benzoyl]naphthalen-2-yl]benzoic acid
CID 58877996
6-(2-fluorophenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 67005014
bis([6-hydroxy-2-(4-hydroxyphenyl)-1-benzothiophen-3-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone);dihydrochloride
CID 173469458
[8-hydroxy-3-(4-hydroxyphenyl)-6H-isoindolo[2,1-a]indol-11-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone
CID 139932268
6-(3-fluoro-4-methylsulfonylphenyl)-5-[4-(2-piperidin-1-ylethoxy)phenoxy]naphthalen-2-ol;hydrochloride
CID 68520285

Frequently Asked Questions

What is the IUPAC name of [2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride?
The IUPAC name of [2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride (CID 68950038) is [2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride.
What is the SMILES notation for [2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride?
The canonical SMILES for [2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride is Cl.O=C(c1ccc(OCCN2CCCCC2)cc1)c1c(-c2cccc(F)c2)ccc2cc(O)ccc12.
What is the InChIKey of [2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride?
The InChIKey is XIIQQYSPJCMFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FNO3.ClH/c31-24-6-4-5-22(19-24)27-13-9-23-20-25(33)10-14-28(23)29(27)30(34)21-7-11-26(12-8-21)35-18-17-32-15-2-1-3-16-32;/h4-14,19-20,33H,1-3,15-18H2;1H.
What are the key properties of [2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride?
[2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride has a molecular weight of 506.02 g/mol, XLogP of 6.87, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-fluorophenyl)-6-hydroxynaphthalen-1-yl]-[4-(2-piperidin-1-ylethoxy)phenyl]methanone;hydrochloride is sourced from PubChem (CID 68950038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).