1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol

C24H32Cl2N2O5 — CID 138524402

IUPAC1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(OC[C@H](O)CNC2CCN(C(Oc3ccc(Cl)c(Cl)c3)C(C)O)CC2)cc1
InChIInChI=1S/C24H32Cl2N2O5/c1-16(29)24(33-21-7-8-22(25)23(26)13-21)28-11-9-17(10-12-28)27-14-18(30)15-32-20-5-3-19(31-2)4-6-20/h3-8,13,16-18,24,27,29-30H,9-12,14-15H2,1-2H3/t16?,18-,24?/m1/s1
InChIKeyPMXSYYRQHHSGMF-COYKAVQBSA-N
MW499.44 g/mol
LogP3.58
Rot. Bonds11

About 1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol

1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol (PubChem CID 138524402) has the molecular formula C24H32Cl2N2O5 and a molecular weight of 499.44 g/mol. Its IUPAC name is 1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol.

Molecular Properties

Compound Name1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol
PubChem CID138524402
Molecular FormulaC24H32Cl2N2O5
Molecular Weight499.44 g/mol
Exact Mass498.17
IUPAC Name1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol
SMILESCOc1ccc(OC[C@H](O)CNC2CCN(C(Oc3ccc(Cl)c(Cl)c3)C(C)O)CC2)cc1
InChIInChI=1S/C24H32Cl2N2O5/c1-16(29)24(33-21-7-8-22(25)23(26)13-21)28-11-9-17(10-12-28)27-14-18(30)15-32-20-5-3-19(31-2)4-6-20/h3-8,13,16-18,24,27,29-30H,9-12,14-15H2,1-2H3/t16?,18-,24?/m1/s1
InChIKeyPMXSYYRQHHSGMF-COYKAVQBSA-N
XLogP3.58
TPSA83.42 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.44
LogP ≤ 53.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol with MolForge

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Related Compounds

(2R)-1-[[1-[(2R)-3-(4-chloro-3-methylphenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(4-methoxyphenoxy)propan-2-ol
CID 138517951
(2R)-1-[[1-[(2R)-3-(3,4-dichlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(3-methoxyphenoxy)propan-2-ol
CID 138517895
1-(3,4-dichlorophenoxy)-3-[(2,2-dimethylcyclopropyl)amino]propan-2-ol
CID 61223730
(2R)-1-(cyclopentylamino)-3-[4-[(2R)-3-(cyclopentylamino)-2-hydroxypropoxy]phenoxy]propan-2-ol
CID 7454139
1-[4-[3-(cyclopropylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 138958786
(2S)-1-(3,4-dichlorophenoxy)-3-[4-[3-(3,4-dichlorophenoxy)propylamino]piperidin-1-yl]propan-2-ol
CID 138517946
(2S)-1-(4-methoxyphenoxy)-3-[[(6R)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl]amino]propan-2-ol
CID 95323235
1-(4-chlorophenoxy)-3-(cyclooctylamino)propan-2-ol
CID 60635581
(2S)-1-(4-aminopiperidin-1-yl)-3-(3,4-dichlorophenoxy)propan-2-ol;(2S)-2-(chloromethyl)oxirane;(2S)-1-[[1-[(2S)-3-(3,4-dichlorophenoxy)-2-hydroxypropyl]piperidin-4-yl]amino]-3-(4-methylphenoxy)propan-2-ol;4-methoxyphenol;(2S)-2-[(4-methoxyphenoxy)methyl]oxirane
CID 158807134
1-[4-[(2R)-3-(cycloheptylamino)-2-hydroxypropoxy]phenyl]propan-1-one
CID 2102296
1-(4-tert-butylphenoxy)-3-[(1-tert-butylpiperidin-4-yl)amino]propan-2-ol
CID 166238807
1-[(1-benzylpiperidin-4-yl)amino]-3-(4-ethoxyphenoxy)propan-2-ol
CID 4969396

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol?
The IUPAC name of 1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol (CID 138524402) is 1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol.
What is the SMILES notation for 1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol?
The canonical SMILES for 1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol is COc1ccc(OC[C@H](O)CNC2CCN(C(Oc3ccc(Cl)c(Cl)c3)C(C)O)CC2)cc1.
What is the InChIKey of 1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol?
The InChIKey is PMXSYYRQHHSGMF-COYKAVQBSA-N. The full InChI is InChI=1S/C24H32Cl2N2O5/c1-16(29)24(33-21-7-8-22(25)23(26)13-21)28-11-9-17(10-12-28)27-14-18(30)15-32-20-5-3-19(31-2)4-6-20/h3-8,13,16-18,24,27,29-30H,9-12,14-15H2,1-2H3/t16?,18-,24?/m1/s1.
What are the key properties of 1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol?
1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol has a molecular weight of 499.44 g/mol, XLogP of 3.58, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dichlorophenoxy)-1-[4-[[(2R)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]piperidin-1-yl]propan-2-ol is sourced from PubChem (CID 138524402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).