[(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol

C17H22ClN3O — CID 164637565

IUPAC[(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(CCNc2ccc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C17H22ClN3O/c18-15-4-5-16-14(10-15)3-6-17(20-16)19-7-9-21-8-1-2-13(11-21)12-22/h3-6,10,13,22H,1-2,7-9,11-12H2,(H,19,20)/t13-/m0/s1
InChIKeyXFVCADRSCOISNL-ZDUSSCGKSA-N
MW319.84 g/mol
LogP3.00
Rot. Bonds5

About [(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol

[(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol (PubChem CID 164637565) has the molecular formula C17H22ClN3O and a molecular weight of 319.84 g/mol. Its IUPAC name is [(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol.

Molecular Properties

Compound Name[(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol
PubChem CID164637565
Molecular FormulaC17H22ClN3O
Molecular Weight319.84 g/mol
Exact Mass319.15
IUPAC Name[(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol
SMILESOC[C@H]1CCCN(CCNc2ccc3cc(Cl)ccc3n2)C1
InChIInChI=1S/C17H22ClN3O/c18-15-4-5-16-14(10-15)3-6-17(20-16)19-7-9-21-8-1-2-13(11-21)12-22/h3-6,10,13,22H,1-2,7-9,11-12H2,(H,19,20)/t13-/m0/s1
InChIKeyXFVCADRSCOISNL-ZDUSSCGKSA-N
XLogP3.00
TPSA48.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.84
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol?
The IUPAC name of [(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol (CID 164637565) is [(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol.
What is the SMILES notation for [(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol?
The canonical SMILES for [(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol is OC[C@H]1CCCN(CCNc2ccc3cc(Cl)ccc3n2)C1.
What is the InChIKey of [(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol?
The InChIKey is XFVCADRSCOISNL-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22ClN3O/c18-15-4-5-16-14(10-15)3-6-17(20-16)19-7-9-21-8-1-2-13(11-21)12-22/h3-6,10,13,22H,1-2,7-9,11-12H2,(H,19,20)/t13-/m0/s1.
What are the key properties of [(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol?
[(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol has a molecular weight of 319.84 g/mol, XLogP of 3.00, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-[2-[(6-chloroquinolin-2-yl)amino]ethyl]piperidin-3-yl]methanol is sourced from PubChem (CID 164637565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).