3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine

C18H20Cl2N2O — CID 155555548

IUPAC3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESClc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2/t18-/m0/s1
InChIKeyGDWGKXWHTRSAQZ-SFHVURJKSA-N
MW351.28 g/mol
LogP4.38
Rot. Bonds5

About 3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine

3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine (PubChem CID 155555548) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine.

Molecular Properties

Compound Name3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
PubChem CID155555548
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine
SMILESClc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl
InChIInChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2/t18-/m0/s1
InChIKeyGDWGKXWHTRSAQZ-SFHVURJKSA-N
XLogP4.38
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The IUPAC name of 3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine (CID 155555548) is 3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine.
What is the SMILES notation for 3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The canonical SMILES for 3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine is Clc1ccc(C[C@@]2(COc3cccnc3)CCCNC2)cc1Cl.
What is the InChIKey of 3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine?
The InChIKey is GDWGKXWHTRSAQZ-SFHVURJKSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c19-16-5-4-14(9-17(16)20)10-18(6-2-8-22-12-18)13-23-15-3-1-7-21-11-15/h1,3-5,7,9,11,22H,2,6,8,10,12-13H2/t18-/m0/s1.
What are the key properties of 3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine?
3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine has a molecular weight of 351.28 g/mol, XLogP of 4.38, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(3S)-3-[(3,4-dichlorophenyl)methyl]piperidin-3-yl]methoxy]pyridine is sourced from PubChem (CID 155555548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).