1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol

C21H22ClN3O — CID 52704853

IUPAC1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccccc2NCc2cc3ccccc3nc2Cl)CC1
InChIInChI=1S/C21H22ClN3O/c22-21-16(13-15-5-1-2-6-18(15)24-21)14-23-19-7-3-4-8-20(19)25-11-9-17(26)10-12-25/h1-8,13,17,23,26H,9-12,14H2
InChIKeyDCWNCBAUEBMCGO-UHFFFAOYSA-N
MW367.88 g/mol
LogP4.46
Rot. Bonds4

About 1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol

1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol (PubChem CID 52704853) has the molecular formula C21H22ClN3O and a molecular weight of 367.88 g/mol. Its IUPAC name is 1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol
PubChem CID52704853
Molecular FormulaC21H22ClN3O
Molecular Weight367.88 g/mol
Exact Mass367.15
IUPAC Name1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol
SMILESOC1CCN(c2ccccc2NCc2cc3ccccc3nc2Cl)CC1
InChIInChI=1S/C21H22ClN3O/c22-21-16(13-15-5-1-2-6-18(15)24-21)14-23-19-7-3-4-8-20(19)25-11-9-17(26)10-12-25/h1-8,13,17,23,26H,9-12,14H2
InChIKeyDCWNCBAUEBMCGO-UHFFFAOYSA-N
XLogP4.46
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.88
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-Propanol, 3-(9-acridinylamino)-
CID 150655
N~2~-[2-(2-Chlorophenyl)quinolin-4-yl]-N~1~,N~1~-dimethylethane-1,2-diamine
CID 44422002
(2S)-1-[[2-(3-chloro-4-methylphenyl)quinolin-4-yl]amino]propan-2-ol
CID 9927375
3-[(2-Phenylquinolin-4-yl)amino]propane-1,2-diol
CID 9994593
1-[(2-Phenylquinolin-4-yl)amino]propan-2-ol
CID 18432978
(2S)-1-[(2-phenylquinolin-4-yl)amino]propan-2-ol
CID 44321830
3-[[2-(4-Chlorophenyl)quinolin-4-yl]amino]propane-1,2-diol
CID 44322192
5-[(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]pentan-1-ol
CID 67607785
6-[(6-Chloro-1,2,3,4-tetrahydroacridin-9-yl)amino]hexan-1-ol
CID 71661698
3-[[2-(3-Chloro-4-methylphenyl)quinolin-4-yl]amino]propane-1,2-diol
CID 18433071
(2R)-1-[(2-phenylquinolin-4-yl)amino]propan-2-ol
CID 44322193
6-chloro-N-(4-morpholin-4-ylbutyl)-2-phenylquinolin-4-amine
CID 162654390

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol?
The IUPAC name of 1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol (CID 52704853) is 1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol.
What is the SMILES notation for 1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol?
The canonical SMILES for 1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol is OC1CCN(c2ccccc2NCc2cc3ccccc3nc2Cl)CC1.
What is the InChIKey of 1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol?
The InChIKey is DCWNCBAUEBMCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O/c22-21-16(13-15-5-1-2-6-18(15)24-21)14-23-19-7-3-4-8-20(19)25-11-9-17(26)10-12-25/h1-8,13,17,23,26H,9-12,14H2.
What are the key properties of 1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol?
1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol has a molecular weight of 367.88 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2-chloroquinolin-3-yl)methylamino]phenyl]piperidin-4-ol is sourced from PubChem (CID 52704853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).