5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine

C18H20Cl2N2O — CID 59438157

IUPAC5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine
SMILESC[C@H](Oc1ccc(Cl)cn1)[C@H]1CCNC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O/c1-12(23-18-7-6-15(20)10-22-18)16-8-9-21-11-17(16)13-2-4-14(19)5-3-13/h2-7,10,12,16-17,21H,8-9,11H2,1H3/t12-,16+,17+/m0/s1
InChIKeyLTDNPMZKUBEOLP-JCURWCKSSA-N
MW351.28 g/mol
LogP4.55
Rot. Bonds4

About 5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine

5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine (PubChem CID 59438157) has the molecular formula C18H20Cl2N2O and a molecular weight of 351.28 g/mol. Its IUPAC name is 5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine.

Molecular Properties

Compound Name5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine
PubChem CID59438157
Molecular FormulaC18H20Cl2N2O
Molecular Weight351.28 g/mol
Exact Mass350.10
IUPAC Name5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine
SMILESC[C@H](Oc1ccc(Cl)cn1)[C@H]1CCNC[C@@H]1c1ccc(Cl)cc1
InChIInChI=1S/C18H20Cl2N2O/c1-12(23-18-7-6-15(20)10-22-18)16-8-9-21-11-17(16)13-2-4-14(19)5-3-13/h2-7,10,12,16-17,21H,8-9,11H2,1H3/t12-,16+,17+/m0/s1
InChIKeyLTDNPMZKUBEOLP-JCURWCKSSA-N
XLogP4.55
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine 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

6-[1-[4-(4-cyanophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 66999804
6-[1-[4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 68795387
6-[(1S)-1-[(3R,4S)-4-(3,4-dichlorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 59513651
6-[(1S)-1-[(3R)-4-(3,4-difluorophenyl)pyrrolidin-3-yl]ethoxy]pyridine-3-carbonitrile
CID 58171840
5-chloro-2-[[(3S,4S)-3-phenylpiperidin-4-yl]methoxy]pyridine
CID 59438135
3,4-bis(4-chlorophenyl)piperidine
CID 79434307
(3R,4R)-3-(4-chlorophenyl)-4-methylpiperidine
CID 70225291
4-[1-benzyl-4-[1-[(5-chloro-2-pyridinyl)oxy]ethyl]pyrrolidin-3-yl]benzonitrile
CID 66999216
3-(4-chlorophenyl)-4-methoxypiperidine
CID 117236496
[3-(4-chlorophenyl)-4-[(1S)-1-[(5-chloro-2-pyridinyl)oxy]ethyl]pyrrolidin-1-yl]-(6-methylpyridazin-4-yl)methanone
CID 67131390
[(3S,4S)-3-(4-chlorophenyl)-4-[(1S)-1-[[5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]piperidin-1-yl]-[4-(4-fluorophenyl)phenyl]methanone
CID 59438187
5-chloro-2-(piperidin-4-ylmethoxy)pyridine
CID 62348953

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine?
The IUPAC name of 5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine (CID 59438157) is 5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine.
What is the SMILES notation for 5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine?
The canonical SMILES for 5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine is C[C@H](Oc1ccc(Cl)cn1)[C@H]1CCNC[C@@H]1c1ccc(Cl)cc1.
What is the InChIKey of 5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine?
The InChIKey is LTDNPMZKUBEOLP-JCURWCKSSA-N. The full InChI is InChI=1S/C18H20Cl2N2O/c1-12(23-18-7-6-15(20)10-22-18)16-8-9-21-11-17(16)13-2-4-14(19)5-3-13/h2-7,10,12,16-17,21H,8-9,11H2,1H3/t12-,16+,17+/m0/s1.
What are the key properties of 5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine?
5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine has a molecular weight of 351.28 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[(1S)-1-[(3S,4S)-3-(4-chlorophenyl)piperidin-4-yl]ethoxy]pyridine is sourced from PubChem (CID 59438157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).