3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol

C24H29N5O2 — CID 132778663

IUPAC3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
SMILESCN(Cc1ccc(OCc2ccccn2)cc1)CC1(O)CCCN(c2cnccn2)C1
InChIInChI=1S/C24H29N5O2/c1-28(18-24(30)10-4-14-29(19-24)23-15-25-12-13-27-23)16-20-6-8-22(9-7-20)31-17-21-5-2-3-11-26-21/h2-3,5-9,11-13,15,30H,4,10,14,16-19H2,1H3
InChIKeyIAEBQSOXVVMAHC-UHFFFAOYSA-N
MW419.53 g/mol
LogP2.91
Rot. Bonds8

About 3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol

3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol (PubChem CID 132778663) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol.

Molecular Properties

Compound Name3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
PubChem CID132778663
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
SMILESCN(Cc1ccc(OCc2ccccn2)cc1)CC1(O)CCCN(c2cnccn2)C1
InChIInChI=1S/C24H29N5O2/c1-28(18-24(30)10-4-14-29(19-24)23-15-25-12-13-27-23)16-20-6-8-22(9-7-20)31-17-21-5-2-3-11-26-21/h2-3,5-9,11-13,15,30H,4,10,14,16-19H2,1H3
InChIKeyIAEBQSOXVVMAHC-UHFFFAOYSA-N
XLogP2.91
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[[4-(2-fluoroethoxy)phenyl]methyl-methylamino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 132777867
3-[[methyl-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 132778730
3-[[methyl-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol
CID 154819988
2-[4-[[[(3R)-3-hydroxy-1-pyridin-2-ylpyrrolidin-3-yl]methyl-methylamino]methyl]phenoxy]-1-morpholin-4-ylethanone
CID 129457900
N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methyl-2-pyridin-3-ylacetamide
CID 124991776
4-ethyl-N-[[(3R)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylbenzamide
CID 124960899
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
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-4-(pyrrolidin-1-ylmethyl)benzamide
CID 124983427
N-[[(3S)-3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl]methyl]-N-methylthiophene-3-carboxamide
CID 124984347
N-[(3-hydroxy-1-pyrazin-2-ylpiperidin-3-yl)methyl]-N-methylpyrimidine-5-carboxamide
CID 110123469

Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
The IUPAC name of 3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol (CID 132778663) is 3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol.
What is the SMILES notation for 3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
The canonical SMILES for 3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol is CN(Cc1ccc(OCc2ccccn2)cc1)CC1(O)CCCN(c2cnccn2)C1.
What is the InChIKey of 3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
The InChIKey is IAEBQSOXVVMAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-28(18-24(30)10-4-14-29(19-24)23-15-25-12-13-27-23)16-20-6-8-22(9-7-20)31-17-21-5-2-3-11-26-21/h2-3,5-9,11-13,15,30H,4,10,14,16-19H2,1H3.
What are the key properties of 3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol?
3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol has a molecular weight of 419.53 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-[[4-(pyridin-2-ylmethoxy)phenyl]methyl]amino]methyl]-1-pyrazin-2-ylpiperidin-3-ol is sourced from PubChem (CID 132778663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).