4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine

C12H17ClN2O — CID 79255986

IUPAC4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1Cc1cc(Cl)ccn1
InChIInChI=1S/C12H17ClN2O/c1-12(2)9-16-6-5-15(12)8-11-7-10(13)3-4-14-11/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyYFUGOYHMFPBTGI-UHFFFAOYSA-N
MW240.73 g/mol
LogP2.35
Rot. Bonds2

About 4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine

4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine (PubChem CID 79255986) has the molecular formula C12H17ClN2O and a molecular weight of 240.73 g/mol. Its IUPAC name is 4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine.

Molecular Properties

Compound Name4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine
PubChem CID79255986
Molecular FormulaC12H17ClN2O
Molecular Weight240.73 g/mol
Exact Mass240.10
IUPAC Name4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine
SMILESCC1(C)COCCN1Cc1cc(Cl)ccn1
InChIInChI=1S/C12H17ClN2O/c1-12(2)9-16-6-5-15(12)8-11-7-10(13)3-4-14-11/h3-4,7H,5-6,8-9H2,1-2H3
InChIKeyYFUGOYHMFPBTGI-UHFFFAOYSA-N
XLogP2.35
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.73
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine?
The IUPAC name of 4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine (CID 79255986) is 4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine.
What is the SMILES notation for 4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine?
The canonical SMILES for 4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine is CC1(C)COCCN1Cc1cc(Cl)ccn1.
What is the InChIKey of 4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine?
The InChIKey is YFUGOYHMFPBTGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O/c1-12(2)9-16-6-5-15(12)8-11-7-10(13)3-4-14-11/h3-4,7H,5-6,8-9H2,1-2H3.
What are the key properties of 4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine?
4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine has a molecular weight of 240.73 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-chloro-2-pyridinyl)methyl]-3,3-dimethylmorpholine is sourced from PubChem (CID 79255986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).