1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine

C21H35N3 — CID 99928526

IUPAC1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine
SMILESCc1cc(CN2CCN(C)CC2)c(C)c(CN2CCC[C@@H](C)C2)c1
InChIInChI=1S/C21H35N3/c1-17-6-5-7-24(14-17)16-21-13-18(2)12-20(19(21)3)15-23-10-8-22(4)9-11-23/h12-13,17H,5-11,14-16H2,1-4H3/t17-/m1/s1
InChIKeyXFROIUOZZLPLOR-QGZVFWFLSA-N
MW329.53 g/mol
LogP3.28
Rot. Bonds4

About 1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine

1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine (PubChem CID 99928526) has the molecular formula C21H35N3 and a molecular weight of 329.53 g/mol. Its IUPAC name is 1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine
PubChem CID99928526
Molecular FormulaC21H35N3
Molecular Weight329.53 g/mol
Exact Mass329.28
IUPAC Name1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine
SMILESCc1cc(CN2CCN(C)CC2)c(C)c(CN2CCC[C@@H](C)C2)c1
InChIInChI=1S/C21H35N3/c1-17-6-5-7-24(14-17)16-21-13-18(2)12-20(19(21)3)15-23-10-8-22(4)9-11-23/h12-13,17H,5-11,14-16H2,1-4H3/t17-/m1/s1
InChIKeyXFROIUOZZLPLOR-QGZVFWFLSA-N
XLogP3.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.53
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine
CID 99946878
1-[2,5-dimethyl-3-[[(3S)-3-methylpiperidin-1-yl]methyl]phenyl]-N-methyl-N-(pyrazin-2-ylmethyl)methanamine
CID 99948873
(3R)-3-methyl-1-[(4-methylphenyl)methyl]piperidine
CID 51531591
(3S)-1-[(2,4-dimethoxy-3-methylphenyl)methyl]-3-methylpiperidine
CID 26458149
1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine
CID 99935685
(3S)-1-[(4-methoxy-2,3-dimethylphenyl)methyl]-3-methylpiperidine
CID 26458710
(3R)-1-[(2,4-dichlorophenyl)methyl]-3-methylpiperidine
CID 144850667
1-[(2-bromophenyl)methyl]-3-methylpiperidine
CID 60644748
(3R)-1-[(2-chlorophenyl)methyl]-3-methylpiperidine
CID 42550070
1-methyl-4-[(3-methylpiperidin-1-yl)methyl]pyrazol-5-amine
CID 82171619
1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine
CID 86880416
3-bromo-4-[(3-methylpiperidin-1-yl)methyl]aniline
CID 60795850

Frequently Asked Questions

What is the IUPAC name of 1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine (CID 99928526) is 1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine is Cc1cc(CN2CCN(C)CC2)c(C)c(CN2CCC[C@@H](C)C2)c1.
What is the InChIKey of 1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine?
The InChIKey is XFROIUOZZLPLOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H35N3/c1-17-6-5-7-24(14-17)16-21-13-18(2)12-20(19(21)3)15-23-10-8-22(4)9-11-23/h12-13,17H,5-11,14-16H2,1-4H3/t17-/m1/s1.
What are the key properties of 1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine?
1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine has a molecular weight of 329.53 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 99928526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).