1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine

C22H32N4 — CID 99948873

IUPAC1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
SMILESCc1cc(CN(C)Cc2cnccn2)c(C)c(CN2CCC[C@H](C)C2)c1
InChIInChI=1S/C22H32N4/c1-17-6-5-9-26(13-17)15-21-11-18(2)10-20(19(21)3)14-25(4)16-22-12-23-7-8-24-22/h7-8,10-12,17H,5-6,9,13-16H2,1-4H3/t17-/m0/s1
InChIKeyFERXMYZZXGZOME-KRWDZBQOSA-N
MW352.53 g/mol
LogP3.96
Rot. Bonds6

About 1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine

1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine (PubChem CID 99948873) has the molecular formula C22H32N4 and a molecular weight of 352.53 g/mol. Its IUPAC name is 1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
PubChem CID99948873
Molecular FormulaC22H32N4
Molecular Weight352.53 g/mol
Exact Mass352.26
IUPAC Name1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
SMILESCc1cc(CN(C)Cc2cnccn2)c(C)c(CN2CCC[C@H](C)C2)c1
InChIInChI=1S/C22H32N4/c1-17-6-5-9-26(13-17)15-21-11-18(2)10-20(19(21)3)14-25(4)16-22-12-23-7-8-24-22/h7-8,10-12,17H,5-6,9,13-16H2,1-4H3/t17-/m0/s1
InChIKeyFERXMYZZXGZOME-KRWDZBQOSA-N
XLogP3.96
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.53
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine
CID 99928526
N-methyl-N-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 171995944
(2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine
CID 99946878
[4-[(3-methylpiperidin-1-yl)methyl]-2-pyridinyl]methanamine
CID 63888835
4-methyl-6-[(3-methylpiperidin-1-yl)methyl]pyrimidine
CID 177203757
1-(3,5-dimethylpiperidin-1-yl)-2-[methyl(pyrazin-2-ylmethyl)amino]ethanone
CID 75377018
6-methylisoquinoline;3-methyl-1-(naphthalen-1-ylmethyl)piperidine
CID 143705347
2-[(3R)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-3-yl]pyrazine
CID 95833193
4-[(3-methylpiperidin-1-yl)methyl]pyridine
CID 121401070
2-[(3-methylpiperidin-1-yl)methyl]-4-pyridin-3-ylphenol
CID 45249191
N-[2-(3-methylpiperidin-1-yl)ethyl]pyrazine-2-carboxamide
CID 47035916
2-[1-(pyrazin-2-ylmethyl)piperidin-3-yl]ethanol
CID 62356299

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
The IUPAC name of 1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine (CID 99948873) is 1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
The canonical SMILES for 1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine is Cc1cc(CN(C)Cc2cnccn2)c(C)c(CN2CCC[C@H](C)C2)c1.
What is the InChIKey of 1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
The InChIKey is FERXMYZZXGZOME-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H32N4/c1-17-6-5-9-26(13-17)15-21-11-18(2)10-20(19(21)3)14-25(4)16-22-12-23-7-8-24-22/h7-8,10-12,17H,5-6,9,13-16H2,1-4H3/t17-/m0/s1.
What are the key properties of 1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine?
1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine has a molecular weight of 352.53 g/mol, XLogP of 3.96, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine is sourced from PubChem (CID 99948873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).