1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid

C18H22N2O4 — CID 18727458

IUPAC1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(O)COc2cccc3ncccc23)CC1
InChIInChI=1S/C18H22N2O4/c21-14(11-20-9-6-13(7-10-20)18(22)23)12-24-17-5-1-4-16-15(17)3-2-8-19-16/h1-5,8,13-14,21H,6-7,9-12H2,(H,22,23)
InChIKeyJHNNJRRJBHNNFG-UHFFFAOYSA-N
MW330.38 g/mol
LogP1.77
Rot. Bonds6

About 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid

1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid (PubChem CID 18727458) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid
PubChem CID18727458
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid
SMILESO=C(O)C1CCN(CC(O)COc2cccc3ncccc23)CC1
InChIInChI=1S/C18H22N2O4/c21-14(11-20-9-6-13(7-10-20)18(22)23)12-24-17-5-1-4-16-15(17)3-2-8-19-16/h1-5,8,13-14,21H,6-7,9-12H2,(H,22,23)
InChIKeyJHNNJRRJBHNNFG-UHFFFAOYSA-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

N-(1,7-diphenylheptan-4-yl)-1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxamide
CID 12020252
2-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-2,2-diphenylacetaldehyde
CID 90259492
1-[(2R)-2-hydroxy-3-quinolin-6-yloxypropyl]piperidine-4-carboxylic acid
CID 68574034
[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-(9H-xanthen-9-yl)methanone
CID 10791379
lithium;1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidine-4-carboxylate;[1-[(2R)-2-hydroxy-3-quinolin-5-yloxypropyl]piperidin-4-yl]-[4-(2-methylphenyl)piperazin-1-yl]methanone;methane;1-(2-methylphenyl)piperazine;hydrochloride
CID 160831083
(2R)-1-[4-[(2S,4R)-3,3-difluoro-11-tetracyclo[10.4.0.02,4.05,10]hexadeca-1(16),5,7,9,12,14-hexaenyl]piperazin-1-yl]-3-quinolin-5-yloxypropan-2-ol;tetrahydrochloride
CID 134159522
N-(1,7-diphenylheptan-4-yl)-3-[4-(2-hydroxy-3-quinolin-5-yloxypropyl)piperazin-1-yl]-3-oxopropanamide
CID 20622404
1-[4-[bis[4-(dimethylamino)phenyl]methylidene]piperidin-1-yl]-3-quinolin-5-yloxypropan-2-ol
CID 139710168
1-cyclopentyl-2-quinolin-5-yloxyethanol
CID 103045508
N-(1,7-diphenylheptan-4-yl)-1-[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-2-carbonyl]piperidine-4-carboxamide
CID 23531927
2-[[1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidin-4-ylidene]-pyridin-3-ylmethyl]phenol
CID 139710192
(3,4-dimethoxyphenyl)-[1-(2-hydroxy-3-naphthalen-1-yloxypropyl)piperidin-4-yl]methanone
CID 67697221

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid?
The IUPAC name of 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid (CID 18727458) is 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid.
What is the SMILES notation for 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid?
The canonical SMILES for 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid is O=C(O)C1CCN(CC(O)COc2cccc3ncccc23)CC1.
What is the InChIKey of 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid?
The InChIKey is JHNNJRRJBHNNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c21-14(11-20-9-6-13(7-10-20)18(22)23)12-24-17-5-1-4-16-15(17)3-2-8-19-16/h1-5,8,13-14,21H,6-7,9-12H2,(H,22,23).
What are the key properties of 1-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid?
1-(2-hydroxy-3-quinolin-5-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-(2-hydroxy-3-quinolin-5-yloxypropyl)piperidine-4-carboxylic acid is sourced from PubChem (CID 18727458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).