(2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone

C18H24ClN3O2 — CID 50980578

IUPAC(2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCCCC1C1=CCCN(CCO)C1
InChIInChI=1S/C18H24ClN3O2/c19-17-12-14(6-7-20-17)18(24)22-9-2-1-5-16(22)15-4-3-8-21(13-15)10-11-23/h4,6-7,12,16,23H,1-3,5,8-11,13H2
InChIKeyMIWSNGAJYYLNFA-UHFFFAOYSA-N
MW349.86 g/mol
LogP2.35
Rot. Bonds4

About (2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone

(2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone (PubChem CID 50980578) has the molecular formula C18H24ClN3O2 and a molecular weight of 349.86 g/mol. Its IUPAC name is (2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone
PubChem CID50980578
Molecular FormulaC18H24ClN3O2
Molecular Weight349.86 g/mol
Exact Mass349.16
IUPAC Name(2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone
SMILESO=C(c1ccnc(Cl)c1)N1CCCCC1C1=CCCN(CCO)C1
InChIInChI=1S/C18H24ClN3O2/c19-17-12-14(6-7-20-17)18(24)22-9-2-1-5-16(22)15-4-3-8-21(13-15)10-11-23/h4,6-7,12,16,23H,1-3,5,8-11,13H2
InChIKeyMIWSNGAJYYLNFA-UHFFFAOYSA-N
XLogP2.35
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.86
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone (CID 50980578) is (2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone is O=C(c1ccnc(Cl)c1)N1CCCCC1C1=CCCN(CCO)C1.
What is the InChIKey of (2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone?
The InChIKey is MIWSNGAJYYLNFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN3O2/c19-17-12-14(6-7-20-17)18(24)22-9-2-1-5-16(22)15-4-3-8-21(13-15)10-11-23/h4,6-7,12,16,23H,1-3,5,8-11,13H2.
What are the key properties of (2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone?
(2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone has a molecular weight of 349.86 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-pyridinyl)-[2-[1-(2-hydroxyethyl)-3,6-dihydro-2H-pyridin-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 50980578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).