4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine

C15H22ClN3O — CID 84596182

IUPAC4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine
SMILESCC1CN(C2CCN(c3ccncc3Cl)CC2)CCO1
InChIInChI=1S/C15H22ClN3O/c1-12-11-19(8-9-20-12)13-3-6-18(7-4-13)15-2-5-17-10-14(15)16/h2,5,10,12-13H,3-4,6-9,11H2,1H3
InChIKeyUXCGRKGEVPQBKF-UHFFFAOYSA-N
MW295.81 g/mol
LogP2.42
Rot. Bonds2

About 4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine

4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine (PubChem CID 84596182) has the molecular formula C15H22ClN3O and a molecular weight of 295.81 g/mol. Its IUPAC name is 4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine.

Molecular Properties

Compound Name4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine
PubChem CID84596182
Molecular FormulaC15H22ClN3O
Molecular Weight295.81 g/mol
Exact Mass295.15
IUPAC Name4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine
SMILESCC1CN(C2CCN(c3ccncc3Cl)CC2)CCO1
InChIInChI=1S/C15H22ClN3O/c1-12-11-19(8-9-20-12)13-3-6-18(7-4-13)15-2-5-17-10-14(15)16/h2,5,10,12-13H,3-4,6-9,11H2,1H3
InChIKeyUXCGRKGEVPQBKF-UHFFFAOYSA-N
XLogP2.42
TPSA28.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.81
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-Morpholinopyridine
CID 4145413
2-Chloro-4-(piperidin-1-yl)pyridine
CID 53217413
4-(1-{1-[(3,5-Dichloro-4-pyridinyl)methyl]-4-piperidinyl}ethyl)morpholine
CID 70766602
2-morpholin-4-ylethyl N-(2-chloro-4-pyridinyl)carbamate
CID 71816676
[4-(3-Chloro-4-pyridinyl)piperazin-1-yl]-morpholin-4-ylmethanone
CID 71976877
3-Chloro-4-[4-(oxan-4-yloxy)piperidin-1-yl]pyridine
CID 71977828
4-(3-Chloro-4-pyridinyl)-1,4-oxazepane
CID 118740651
4-[(6-Chloropyridin-3-yl)methyl]morpholine
CID 3614045
2,6-Dimethyl-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]morpholine
CID 2912309
4-(5-Chloropyridin-3-yl)morpholine
CID 11367634
4-(6-Chloropyridin-3-yl)morpholine
CID 11412961
4-(2,6-Dichloro-pyridin-4-yl)-morpholine
CID 11615578

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine?
The IUPAC name of 4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine (CID 84596182) is 4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine.
What is the SMILES notation for 4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine?
The canonical SMILES for 4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine is CC1CN(C2CCN(c3ccncc3Cl)CC2)CCO1.
What is the InChIKey of 4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine?
The InChIKey is UXCGRKGEVPQBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN3O/c1-12-11-19(8-9-20-12)13-3-6-18(7-4-13)15-2-5-17-10-14(15)16/h2,5,10,12-13H,3-4,6-9,11H2,1H3.
What are the key properties of 4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine?
4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine has a molecular weight of 295.81 g/mol, XLogP of 2.42, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-4-pyridinyl)piperidin-4-yl]-2-methylmorpholine is sourced from PubChem (CID 84596182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).