4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol

C26H30ClN3O2 — CID 74804644

IUPAC4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol
SMILESCOc1ccc2cc(C3NNCC3CN3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2c1
InChIInChI=1S/C26H30ClN3O2/c1-32-24-9-4-18-14-20(3-2-19(18)15-24)25-21(16-28-29-25)17-30-12-10-26(31,11-13-30)22-5-7-23(27)8-6-22/h2-9,14-15,21,25,28-29,31H,10-13,16-17H2,1H3
InChIKeyRYZDTZONUHCYBH-UHFFFAOYSA-N
MW452.00 g/mol
LogP4.25
Rot. Bonds5

About 4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol

4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol (PubChem CID 74804644) has the molecular formula C26H30ClN3O2 and a molecular weight of 452.00 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol
PubChem CID74804644
Molecular FormulaC26H30ClN3O2
Molecular Weight452.00 g/mol
Exact Mass451.20
IUPAC Name4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol
SMILESCOc1ccc2cc(C3NNCC3CN3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2c1
InChIInChI=1S/C26H30ClN3O2/c1-32-24-9-4-18-14-20(3-2-19(18)15-24)25-21(16-28-29-25)17-30-12-10-26(31,11-13-30)22-5-7-23(27)8-6-22/h2-9,14-15,21,25,28-29,31H,10-13,16-17H2,1H3
InChIKeyRYZDTZONUHCYBH-UHFFFAOYSA-N
XLogP4.25
TPSA56.76 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.00
LogP ≤ 54.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol with MolForge

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Related Compounds

(4aS,8aS)-2-[[3-(4-chlorophenyl)pyrazolidin-4-yl]methyl]-1,3,4,5,6,7,8,8a-octahydroisoquinolin-4a-ol
CID 133124831
3-(4-chlorophenyl)-5-[[4-hydroxy-4-(4-methoxyphenyl)piperidin-1-yl]methyl]-1,3-oxazolidin-2-one
CID 14368962
1-(4-methoxyphenyl)-N-[[3-(3-methoxyphenyl)pyrazolidin-4-yl]methyl]cyclopropan-1-amine
CID 73304912
ethyl 3-(2-methoxyethyl)-1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidine-3-carboxylate
CID 74778805
4-(4-chlorophenyl)-1-[4-(4-methoxyphenyl)-4-phenylbutyl]piperidin-4-ol
CID 11705066
4-(4-chlorophenyl)-1-ethylpiperidin-4-ol
CID 60895332
4-[1-[[3-(4-methoxyphenyl)pyrazolidin-4-yl]methyl]piperidin-4-yl]pyrimidin-2-amine
CID 134127387
4-(4-methoxyphenyl)-1-[(4-methylphenyl)methyl]piperidin-4-ol;hydrochloride
CID 42624389
4-(3-chloro-4-fluorophenyl)-1-[(3-methoxyphenyl)methyl]piperidin-4-ol
CID 66764282
1-[(2R)-2-(3,4-dichlorophenyl)-2-hydroxyethyl]-4-(4-methoxyphenyl)piperidin-4-ol
CID 51501484
[1-[[3-(2,5-dimethylphenyl)pyrazolidin-4-yl]methyl]-3-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanol
CID 74810640
4-(6-methoxynaphthalen-2-yl)piperidin-4-ol;hydrochloride
CID 142647916

Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol?
The IUPAC name of 4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol (CID 74804644) is 4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol.
What is the SMILES notation for 4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol?
The canonical SMILES for 4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol is COc1ccc2cc(C3NNCC3CN3CCC(O)(c4ccc(Cl)cc4)CC3)ccc2c1.
What is the InChIKey of 4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol?
The InChIKey is RYZDTZONUHCYBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30ClN3O2/c1-32-24-9-4-18-14-20(3-2-19(18)15-24)25-21(16-28-29-25)17-30-12-10-26(31,11-13-30)22-5-7-23(27)8-6-22/h2-9,14-15,21,25,28-29,31H,10-13,16-17H2,1H3.
What are the key properties of 4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol?
4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol has a molecular weight of 452.00 g/mol, XLogP of 4.25, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-1-[[3-(6-methoxynaphthalen-2-yl)pyrazolidin-4-yl]methyl]piperidin-4-ol is sourced from PubChem (CID 74804644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).