1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine

C41H47ClF6N6O3 — CID 87604377

IUPAC1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ccc(C(F)(F)F)cn3)N(c3ccc(C(F)(F)F)cn3)C3CCN(Cc4ccc(OC)c(OCC)c4)CC3)CC2)ccc1Cl
InChIInChI=1S/C41H47ClF6N6O3/c1-4-56-36-22-28(6-10-34(36)42)26-51-18-14-32(15-19-51)53(38-12-8-30(24-49-38)40(43,44)45)54(39-13-9-31(25-50-39)41(46,47)48)33-16-20-52(21-17-33)27-29-7-11-35(55-3)37(23-29)57-5-2/h6-13,22-25,32-33H,4-5,14-21,26-27H2,1-3H3
InChIKeyGGKGLJQJAGOTMW-UHFFFAOYSA-N
MW821.31 g/mol
LogP9.53
Rot. Bonds14

About 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine

1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine (PubChem CID 87604377) has the molecular formula C41H47ClF6N6O3 and a molecular weight of 821.31 g/mol. Its IUPAC name is 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine.

Molecular Properties

Compound Name1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine
PubChem CID87604377
Molecular FormulaC41H47ClF6N6O3
Molecular Weight821.31 g/mol
Exact Mass820.33
IUPAC Name1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine
SMILESCCOc1cc(CN2CCC(N(c3ccc(C(F)(F)F)cn3)N(c3ccc(C(F)(F)F)cn3)C3CCN(Cc4ccc(OC)c(OCC)c4)CC3)CC2)ccc1Cl
InChIInChI=1S/C41H47ClF6N6O3/c1-4-56-36-22-28(6-10-34(36)42)26-51-18-14-32(15-19-51)53(38-12-8-30(24-49-38)40(43,44)45)54(39-13-9-31(25-50-39)41(46,47)48)33-16-20-52(21-17-33)27-29-7-11-35(55-3)37(23-29)57-5-2/h6-13,22-25,32-33H,4-5,14-21,26-27H2,1-3H3
InChIKeyGGKGLJQJAGOTMW-UHFFFAOYSA-N
XLogP9.53
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds14
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500821.31
LogP ≤ 59.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine?
The IUPAC name of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine (CID 87604377) is 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine.
What is the SMILES notation for 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine?
The canonical SMILES for 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine is CCOc1cc(CN2CCC(N(c3ccc(C(F)(F)F)cn3)N(c3ccc(C(F)(F)F)cn3)C3CCN(Cc4ccc(OC)c(OCC)c4)CC3)CC2)ccc1Cl.
What is the InChIKey of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine?
The InChIKey is GGKGLJQJAGOTMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H47ClF6N6O3/c1-4-56-36-22-28(6-10-34(36)42)26-51-18-14-32(15-19-51)53(38-12-8-30(24-49-38)40(43,44)45)54(39-13-9-31(25-50-39)41(46,47)48)33-16-20-52(21-17-33)27-29-7-11-35(55-3)37(23-29)57-5-2/h6-13,22-25,32-33H,4-5,14-21,26-27H2,1-3H3.
What are the key properties of 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine?
1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine has a molecular weight of 821.31 g/mol, XLogP of 9.53, 14 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]-2-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]-1,2-bis[5-(trifluoromethyl)-2-pyridinyl]hydrazine is sourced from PubChem (CID 87604377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).