[2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol

C20H25Cl2N3O2 — CID 24855125

IUPAC[2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol
SMILESCCOc1cc(CN2CCC(Nc3cc(CO)cc(Cl)n3)CC2)ccc1Cl
InChIInChI=1S/C20H25Cl2N3O2/c1-2-27-18-9-14(3-4-17(18)21)12-25-7-5-16(6-8-25)23-20-11-15(13-26)10-19(22)24-20/h3-4,9-11,16,26H,2,5-8,12-13H2,1H3,(H,23,24)
InChIKeyMOXWXZFFIQCXPJ-UHFFFAOYSA-N
MW410.35 g/mol
LogP4.36
Rot. Bonds7

About [2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol

[2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol (PubChem CID 24855125) has the molecular formula C20H25Cl2N3O2 and a molecular weight of 410.35 g/mol. Its IUPAC name is [2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol
PubChem CID24855125
Molecular FormulaC20H25Cl2N3O2
Molecular Weight410.35 g/mol
Exact Mass409.13
IUPAC Name[2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol
SMILESCCOc1cc(CN2CCC(Nc3cc(CO)cc(Cl)n3)CC2)ccc1Cl
InChIInChI=1S/C20H25Cl2N3O2/c1-2-27-18-9-14(3-4-17(18)21)12-25-7-5-16(6-8-25)23-20-11-15(13-26)10-19(22)24-20/h3-4,9-11,16,26H,2,5-8,12-13H2,1H3,(H,23,24)
InChIKeyMOXWXZFFIQCXPJ-UHFFFAOYSA-N
XLogP4.36
TPSA57.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.35
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol?
The IUPAC name of [2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol (CID 24855125) is [2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol?
The canonical SMILES for [2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol is CCOc1cc(CN2CCC(Nc3cc(CO)cc(Cl)n3)CC2)ccc1Cl.
What is the InChIKey of [2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol?
The InChIKey is MOXWXZFFIQCXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25Cl2N3O2/c1-2-27-18-9-14(3-4-17(18)21)12-25-7-5-16(6-8-25)23-20-11-15(13-26)10-19(22)24-20/h3-4,9-11,16,26H,2,5-8,12-13H2,1H3,(H,23,24).
What are the key properties of [2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol?
[2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol has a molecular weight of 410.35 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-[[1-[(4-chloro-3-ethoxyphenyl)methyl]piperidin-4-yl]amino]-4-pyridinyl]methanol is sourced from PubChem (CID 24855125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).