3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol

C24H34ClN3O4 — CID 67401138

IUPAC3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol
SMILESCCOc1cc(CN2CCC(Nc3ccc(OCCCO)cn3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C24H34ClN3O4/c1-3-30-21-14-18(15-22(24(21)25)31-4-2)17-28-10-8-19(9-11-28)27-23-7-6-20(16-26-23)32-13-5-12-29/h6-7,14-16,19,29H,3-5,8-13,17H2,1-2H3,(H,26,27)
InChIKeyIMQLLARZYAWSOA-UHFFFAOYSA-N
MW464.01 g/mol
LogP4.37
Rot. Bonds12

About 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol

3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol (PubChem CID 67401138) has the molecular formula C24H34ClN3O4 and a molecular weight of 464.01 g/mol. Its IUPAC name is 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol.

Molecular Properties

Compound Name3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol
PubChem CID67401138
Molecular FormulaC24H34ClN3O4
Molecular Weight464.01 g/mol
Exact Mass463.22
IUPAC Name3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol
SMILESCCOc1cc(CN2CCC(Nc3ccc(OCCCO)cn3)CC2)cc(OCC)c1Cl
InChIInChI=1S/C24H34ClN3O4/c1-3-30-21-14-18(15-22(24(21)25)31-4-2)17-28-10-8-19(9-11-28)27-23-7-6-20(16-26-23)32-13-5-12-29/h6-7,14-16,19,29H,3-5,8-13,17H2,1-2H3,(H,26,27)
InChIKeyIMQLLARZYAWSOA-UHFFFAOYSA-N
XLogP4.37
TPSA76.08 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.01
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol 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

3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propane-1,2-diol
CID 67399652
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]pyridin-3-amine
CID 24826627
methyl 6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxylate
CID 24855171
2-chloro-N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-5-fluoropyrimidin-4-amine
CID 24851796
6-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyridine-3-carboxamide
CID 24855392
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]isoquinolin-1-amine
CID 67401024
N-[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]-2-morpholin-4-ylpyrimidin-5-amine
CID 67198237
5-bromo-N-[1-[(3-ethoxy-4-methoxyphenyl)methyl]piperidin-4-yl]pyridin-2-amine
CID 24855078
N-[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]-5-methylsulfonylpyridin-2-amine
CID 67400612
[2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol
CID 24855125
N-[1-[(3-ethoxy-4-methylphenyl)methyl]piperidin-4-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 24855588
methyl 5-[[1-[(3,5-diethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]pyrazine-2-carboxylate
CID 67401247

Frequently Asked Questions

What is the IUPAC name of 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol?
The IUPAC name of 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol (CID 67401138) is 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol.
What is the SMILES notation for 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol?
The canonical SMILES for 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol is CCOc1cc(CN2CCC(Nc3ccc(OCCCO)cn3)CC2)cc(OCC)c1Cl.
What is the InChIKey of 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol?
The InChIKey is IMQLLARZYAWSOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H34ClN3O4/c1-3-30-21-14-18(15-22(24(21)25)31-4-2)17-28-10-8-19(9-11-28)27-23-7-6-20(16-26-23)32-13-5-12-29/h6-7,14-16,19,29H,3-5,8-13,17H2,1-2H3,(H,26,27).
What are the key properties of 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol?
3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol has a molecular weight of 464.01 g/mol, XLogP of 4.37, 12 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-[[1-[(4-chloro-3,5-diethoxyphenyl)methyl]piperidin-4-yl]amino]-3-pyridinyl]oxy]propan-1-ol is sourced from PubChem (CID 67401138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).