(3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol

C19H23ClN4O2 — CID 172626752

IUPAC(3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2cc(Cl)ncc2-c2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C19H23ClN4O2/c20-18-10-17(24-5-1-2-15(25)13-24)16(12-21-18)14-3-4-19(22-11-14)23-6-8-26-9-7-23/h3-4,10-12,15,25H,1-2,5-9,13H2/t15-/m0/s1
InChIKeyRYTLWTSNWYHGGE-HNNXBMFYSA-N
MW374.87 g/mol
LogP2.59
Rot. Bonds3

About (3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol

(3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol (PubChem CID 172626752) has the molecular formula C19H23ClN4O2 and a molecular weight of 374.87 g/mol. Its IUPAC name is (3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol.

Molecular Properties

Compound Name(3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol
PubChem CID172626752
Molecular FormulaC19H23ClN4O2
Molecular Weight374.87 g/mol
Exact Mass374.15
IUPAC Name(3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol
SMILESO[C@H]1CCCN(c2cc(Cl)ncc2-c2ccc(N3CCOCC3)nc2)C1
InChIInChI=1S/C19H23ClN4O2/c20-18-10-17(24-5-1-2-15(25)13-24)16(12-21-18)14-3-4-19(22-11-14)23-6-8-26-9-7-23/h3-4,10-12,15,25H,1-2,5-9,13H2/t15-/m0/s1
InChIKeyRYTLWTSNWYHGGE-HNNXBMFYSA-N
XLogP2.59
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.87
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(3R)-1-(5-fluoro-2-pyridinyl)piperidin-3-ol
CID 58565962
(3S)-1-[5-(4-cyclopropyl-2-pyridinyl)-2-pyridinyl]piperidin-3-ol
CID 141335687
4-(5-chloro-2-pyridinyl)-1,4-oxazepane
CID 66234346
(3S)-1-[5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 95895530
4-(5-pyridin-4-yl-2-pyridinyl)morpholine
CID 10377044
4-[5-(5-chloro-1-hydroxy-3H-2,1-benzoxaborol-6-yl)-2-pyridinyl]morpholine
CID 140829386
1-[5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]piperidin-3-ol
CID 56769856
tert-butyl N-[(3S)-1-[5-(4-acetamidophenyl)-2-chloro-4-pyridinyl]piperidin-3-yl]carbamate
CID 172626587
1-(4-chloro-6-morpholin-4-ylpyrimidin-2-yl)azetidin-3-ol
CID 90456839
4-[5-[4-[(2R)-2-(4-chloro-3-nitrophenyl)pyrrolidin-1-yl]phenyl]-2-pyridinyl]morpholine
CID 126658316
[6-[(3R)-3-[(6-morpholin-4-ylpyrimidin-4-yl)amino]piperidin-1-yl]-3-pyridinyl]methanol
CID 177305968
1-(3,4-dichlorophenyl)piperidin-3-ol
CID 117012806

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol?
The IUPAC name of (3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol (CID 172626752) is (3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol.
What is the SMILES notation for (3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol?
The canonical SMILES for (3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol is O[C@H]1CCCN(c2cc(Cl)ncc2-c2ccc(N3CCOCC3)nc2)C1.
What is the InChIKey of (3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol?
The InChIKey is RYTLWTSNWYHGGE-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23ClN4O2/c20-18-10-17(24-5-1-2-15(25)13-24)16(12-21-18)14-3-4-19(22-11-14)23-6-8-26-9-7-23/h3-4,10-12,15,25H,1-2,5-9,13H2/t15-/m0/s1.
What are the key properties of (3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol?
(3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol has a molecular weight of 374.87 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[2-chloro-5-(6-morpholin-4-yl-3-pyridinyl)-4-pyridinyl]piperidin-3-ol is sourced from PubChem (CID 172626752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).