3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol

C20H27FN4O2 — CID 132777867

IUPAC3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
SMILESCN(Cc1ccc(OCCF)cc1)CC1(O)CCCN(c2cnccn2)C1
InChIInChI=1S/C20H27FN4O2/c1-24(14-17-3-5-18(6-4-17)27-12-8-21)15-20(26)7-2-11-25(16-20)19-13-22-9-10-23-19/h3-6,9-10,13,26H,2,7-8,11-12,14-16H2,1H3
InChIKeyMRDJQYJULGZLAP-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.29
Rot. Bonds8

About 3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol

3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol (PubChem CID 132777867) has the molecular formula C20H27FN4O2 and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
PubChem CID132777867
Molecular FormulaC20H27FN4O2
Molecular Weight374.46 g/mol
Exact Mass374.21
IUPAC Name3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
SMILESCN(Cc1ccc(OCCF)cc1)CC1(O)CCCN(c2cnccn2)C1
InChIInChI=1S/C20H27FN4O2/c1-24(14-17-3-5-18(6-4-17)27-12-8-21)15-20(26)7-2-11-25(16-20)19-13-22-9-10-23-19/h3-6,9-10,13,26H,2,7-8,11-12,14-16H2,1H3
InChIKeyMRDJQYJULGZLAP-UHFFFAOYSA-N
XLogP2.29
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 132778663
3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 132778730
(3R)-3-[[[4-(2-fluoroethoxy)phenyl]methylamino]methyl]-1-pyrazin-2-ylpyrrolidin-3-ol
CID 129454274
4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 124960899
3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 154819988
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylpyrazine-2-carboxamide
CID 124958674
1-[3-[4-[[(3-hydroxy-1-pyrimidin-2-ylpiperidin-3-yl)methyl-methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 132779553
3-[2-(dimethylamino)ethoxy]-N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 125014770
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N,2-dimethylpyrimidine-5-carboxamide
CID 110123575
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-4-(pyrrolidin-1-ylmethyl)benzamide
CID 124983427
1-[3-[4-[[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methylamino]methyl]phenoxy]propyl]pyrrolidin-2-one
CID 129456351

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
The IUPAC name of 3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol (CID 132777867) is 3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol.
What is the SMILES notation for 3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
The canonical SMILES for 3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol is CN(Cc1ccc(OCCF)cc1)CC1(O)CCCN(c2cnccn2)C1.
What is the InChIKey of 3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
The InChIKey is MRDJQYJULGZLAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O2/c1-24(14-17-3-5-18(6-4-17)27-12-8-21)15-20(26)7-2-11-25(16-20)19-13-22-9-10-23-19/h3-6,9-10,13,26H,2,7-8,11-12,14-16H2,1H3.
What are the key properties of 3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol has a molecular weight of 374.46 g/mol, XLogP of 2.29, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol is sourced from PubChem (CID 132777867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).