1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid

C18H22N2O4 — CID 68574034

IUPAC1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C[C@@H](O)COc2ccc3ncccc3c2)CC1
InChIInChI=1S/C18H22N2O4/c21-15(11-20-8-5-13(6-9-20)18(22)23)12-24-16-3-4-17-14(10-16)2-1-7-19-17/h1-4,7,10,13,15,21H,5-6,8-9,11-12H2,(H,22,23)/t15-/m1/s1
InChIKeyUXDDDYLOPZSTST-OAHLLOKOSA-N
MW330.38 g/mol
LogP1.77
Rot. Bonds6

About 1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid

1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid (PubChem CID 68574034) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid
PubChem CID68574034
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(C[C@@H](O)COc2ccc3ncccc3c2)CC1
InChIInChI=1S/C18H22N2O4/c21-15(11-20-8-5-13(6-9-20)18(22)23)12-24-16-3-4-17-14(10-16)2-1-7-19-17/h1-4,7,10,13,15,21H,5-6,8-9,11-12H2,(H,22,23)/t15-/m1/s1
InChIKeyUXDDDYLOPZSTST-OAHLLOKOSA-N
XLogP1.77
TPSA82.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid
CID 18727458
1-naphthalen-2-yloxy-3-piperidin-1-ylpropan-2-ol chloride
CID 21237702
(2R)-1-naphthalen-2-yloxy-3-pyrrolidin-1-ylpropan-2-ol
CID 754051
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol
CID 3409821
1-naphthalen-2-yloxy-3-(4-pyridin-2-ylpiperazin-1-yl)propan-2-ol;dihydrochloride
CID 24836839
1-[(2R)-2-hydroxy-3-(4-phenylphenoxy)propyl]piperidine-4-carboxamide
CID 2520625
4-[3-(4-benzoylpiperidin-1-yl)-2-hydroxypropoxy]benzonitrile
CID 55504363
(2S)-1-[4-[(2R)-2-hydroxy-3-naphthalen-2-yloxypropyl]-1,4-diazepan-1-yl]-3-naphthalen-2-yloxypropan-2-ol
CID 1179349
ethyl 1-[(2S)-3-(6-bromonaphthalen-2-yl)oxy-2-hydroxypropyl]piperidine-4-carboxylate
CID 92503993
1-(4-ethylpiperazin-1-yl)-3-naphthalen-2-yloxypropan-2-ol dichloride
CID 21237713
[1-(2-hydroxy-3-phenoxypropyl)piperidin-4-yl]-piperidin-1-ylmethanone
CID 110882103
hydron;1-morpholin-4-yl-3-naphthalen-2-yloxypropan-2-ol;chloride
CID 2999607

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid (CID 68574034) is 1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid is O=C(O)C1CCN(C[C@@H](O)COc2ccc3ncccc3c2)CC1.
What is the InChIKey of 1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid?
The InChIKey is UXDDDYLOPZSTST-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-15(11-20-8-5-13(6-9-20)18(22)23)12-24-16-3-4-17-14(10-16)2-1-7-19-17/h1-4,7,10,13,15,21H,5-6,8-9,11-12H2,(H,22,23)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid?
1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid has a molecular weight of 330.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 68574034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).