2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol

C21H28N2O2 — CID 99928163

IUPAC2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol
SMILESCC(C)(O)CCc1ccc(CN2CCO[C@H](c3cccnc3)C2)cc1
InChIInChI=1S/C21H28N2O2/c1-21(2,24)10-9-17-5-7-18(8-6-17)15-23-12-13-25-20(16-23)19-4-3-11-22-14-19/h3-8,11,14,20,24H,9-10,12-13,15-16H2,1-2H3/t20-/m0/s1
InChIKeyLYNKOMVLFBDIRQ-FQEVSTJZSA-N
MW340.47 g/mol
LogP3.36
Rot. Bonds6

About 2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol

2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol (PubChem CID 99928163) has the molecular formula C21H28N2O2 and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol.

Molecular Properties

Compound Name2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol
PubChem CID99928163
Molecular FormulaC21H28N2O2
Molecular Weight340.47 g/mol
Exact Mass340.22
IUPAC Name2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol
SMILESCC(C)(O)CCc1ccc(CN2CCO[C@H](c3cccnc3)C2)cc1
InChIInChI=1S/C21H28N2O2/c1-21(2,24)10-9-17-5-7-18(8-6-17)15-23-12-13-25-20(16-23)19-4-3-11-22-14-19/h3-8,11,14,20,24H,9-10,12-13,15-16H2,1-2H3/t20-/m0/s1
InChIKeyLYNKOMVLFBDIRQ-FQEVSTJZSA-N
XLogP3.36
TPSA45.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol with MolForge

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Related Compounds

(2S)-4-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]-N,N-dimethylmorpholine-2-carboxamide
CID 95862793
[4-[(2-phenylmorpholin-4-yl)methyl]phenyl]methanol
CID 110008119
(3R)-1-[[4-(3-hydroxy-3-methylbutyl)phenyl]methyl]pyrrolidin-3-ol
CID 70761607
tert-butyl 2-pyridin-3-ylmorpholine-4-carboxylate
CID 16737894
4-[4-[[3-(dimethylamino)pyrrolidin-1-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70755812
4-[(5-methoxy-3-methyl-1H-indol-2-yl)methyl]-2-pyridin-3-ylmorpholine
CID 74237359
4-[(1-ethylpyrazol-4-yl)methyl]-2-phenylmorpholine
CID 75438520
3-[2-[(2R)-2-pyridin-3-ylmorpholin-4-yl]ethyl]-1,3-benzoxazol-2-one
CID 99928981
4-[4-[[(9aS)-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl]methyl]phenyl]-2-methylbutan-2-ol
CID 70773562
(2S)-4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 124951754
4-[(4-methylsulfonylphenyl)methyl]-2-pyrazin-2-ylmorpholine
CID 127246320
[4-(pyridin-3-ylmethyl)morpholin-2-yl]-pyrrolidin-1-ylmethanone
CID 155800017

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol?
The IUPAC name of 2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol (CID 99928163) is 2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol.
What is the SMILES notation for 2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol?
The canonical SMILES for 2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol is CC(C)(O)CCc1ccc(CN2CCO[C@H](c3cccnc3)C2)cc1.
What is the InChIKey of 2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol?
The InChIKey is LYNKOMVLFBDIRQ-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H28N2O2/c1-21(2,24)10-9-17-5-7-18(8-6-17)15-23-12-13-25-20(16-23)19-4-3-11-22-14-19/h3-8,11,14,20,24H,9-10,12-13,15-16H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol?
2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol has a molecular weight of 340.47 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[4-[[(2R)-2-pyridin-3-ylmorpholin-4-yl]methyl]phenyl]butan-2-ol is sourced from PubChem (CID 99928163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).