1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol

C24H28N2O4 — CID 56981117

IUPAC1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
SMILESCOc1cccc(OC(O)CCN2CCC(O)(c3cnc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H28N2O4/c1-29-20-6-4-7-21(16-20)30-23(27)9-12-26-13-10-24(28,11-14-26)19-15-18-5-2-3-8-22(18)25-17-19/h2-8,15-17,23,27-28H,9-14H2,1H3
InChIKeyDLSDMKMMDVWSIK-UHFFFAOYSA-N
MW408.50 g/mol
LogP3.31
Rot. Bonds7

About 1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol

1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol (PubChem CID 56981117) has the molecular formula C24H28N2O4 and a molecular weight of 408.50 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol.

Molecular Properties

Compound Name1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
PubChem CID56981117
Molecular FormulaC24H28N2O4
Molecular Weight408.50 g/mol
Exact Mass408.20
IUPAC Name1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
SMILESCOc1cccc(OC(O)CCN2CCC(O)(c3cnc4ccccc4c3)CC2)c1
InChIInChI=1S/C24H28N2O4/c1-29-20-6-4-7-21(16-20)30-23(27)9-12-26-13-10-24(28,11-14-26)19-15-18-5-2-3-8-22(18)25-17-19/h2-8,15-17,23,27-28H,9-14H2,1H3
InChIKeyDLSDMKMMDVWSIK-UHFFFAOYSA-N
XLogP3.31
TPSA75.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.50
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-[(3S)-3-hydroxy-3-phenoxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70242446
1-[3-hydroxy-3-(1-methylindol-4-yl)oxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 57168911
1-[(2S)-2-hydroxy-3-(2-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70237669
1-[(2S)-3-(3,4-dimethylphenoxy)-2-hydroxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70242410
1-[(2S)-3-(2,3-dihydro-1H-inden-5-yloxy)-2-hydroxypropyl]-4-quinolin-3-ylpiperidin-4-ol
CID 70240604
1-[4-[(2S)-2-hydroxy-3-(4-hydroxy-4-quinolin-3-ylpiperidin-1-yl)propoxy]-3-methylphenyl]ethanone
CID 70240099
[2-[3-hydroxy-3-(4-hydroxy-4-quinolin-3-ylpiperidin-1-yl)propoxy]-5-methylphenyl]-phenylmethanone
CID 21198021
(3-methoxyphenyl)-quinolin-3-ylmethanol
CID 60924189
2-[4-hydroxy-4-(3-methoxyphenyl)piperidin-1-yl]-1-pyrrolidin-1-ylethanone
CID 1446395
N-(3-methoxyphenyl)-4-(3-quinolin-3-ylpropyl)piperazine-1-carboxamide
CID 24733890
4-(3-methoxyphenyl)-1-(pyridin-4-ylmethyl)piperidin-4-ol
CID 1446411
1-quinolin-3-yl-4-(trifluoromethyl)cyclohexan-1-ol
CID 64754292

Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol?
The IUPAC name of 1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol (CID 56981117) is 1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol.
What is the SMILES notation for 1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol?
The canonical SMILES for 1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol is COc1cccc(OC(O)CCN2CCC(O)(c3cnc4ccccc4c3)CC2)c1.
What is the InChIKey of 1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol?
The InChIKey is DLSDMKMMDVWSIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O4/c1-29-20-6-4-7-21(16-20)30-23(27)9-12-26-13-10-24(28,11-14-26)19-15-18-5-2-3-8-22(18)25-17-19/h2-8,15-17,23,27-28H,9-14H2,1H3.
What are the key properties of 1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol?
1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol has a molecular weight of 408.50 g/mol, XLogP of 3.31, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(3-methoxyphenoxy)propyl]-4-quinolin-3-ylpiperidin-4-ol is sourced from PubChem (CID 56981117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).