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

C22H37N3 — CID 99946878

IUPAC(2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine
SMILESCc1cc(CN2CCC(C)CC2)c(C)c(CN2CCN(C)[C@H](C)C2)c1
InChIInChI=1S/C22H37N3/c1-17-6-8-24(9-7-17)15-21-12-18(2)13-22(20(21)4)16-25-11-10-23(5)19(3)14-25/h12-13,17,19H,6-11,14-16H2,1-5H3/t19-/m1/s1
InChIKeyZMIRHZXAXZAZEX-LJQANCHMSA-N
MW343.56 g/mol
LogP3.67
Rot. Bonds4

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

(2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine (PubChem CID 99946878) has the molecular formula C22H37N3 and a molecular weight of 343.56 g/mol. Its IUPAC name is (2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine
PubChem CID99946878
Molecular FormulaC22H37N3
Molecular Weight343.56 g/mol
Exact Mass343.30
IUPAC Name(2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine
SMILESCc1cc(CN2CCC(C)CC2)c(C)c(CN2CCN(C)[C@H](C)C2)c1
InChIInChI=1S/C22H37N3/c1-17-6-8-24(9-7-17)15-21-12-18(2)13-22(20(21)4)16-25-11-10-23(5)19(3)14-25/h12-13,17,19H,6-11,14-16H2,1-5H3/t19-/m1/s1
InChIKeyZMIRHZXAXZAZEX-LJQANCHMSA-N
XLogP3.67
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.56
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine
CID 99928526
(3aR,6aS)-2-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-5-ol;formic acid
CID 154922775
1-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-2-phenylhydrazine
CID 169385846
[5-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 90649431
1-[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 131917300
1-[(3,5-dimethylphenyl)methyl]-3-methylpyrrolidine
CID 86880416
[(2S)-4-[[3-(3-amino-2-sulfanylidenepropyl)-2,5-dimethylphenyl]methyl]-2-methylpiperazin-1-yl]-cyclobutylmethanone
CID 159734505
4-bromo-3-[(3,4-dimethylpiperazin-1-yl)methyl]phenol
CID 82980054
N-[[2-[(3,4-dimethylpiperazin-1-yl)methyl]phenyl]methyl]cyclopropanamine
CID 63620639
1-[[2,5-dimethyl-3-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4-methyl-1,4-diazepan-5-one
CID 77086778
4-[(3,4-dimethylpiperazin-1-yl)methyl]-3-fluorobenzoic acid
CID 63619867
2-[(3,4-dimethylpiperazin-1-yl)methyl]-4-methoxyphenol
CID 82980053

Frequently Asked Questions

What is the IUPAC name of (2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine?
The IUPAC name of (2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine (CID 99946878) is (2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine.
What is the SMILES notation for (2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine?
The canonical SMILES for (2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine is Cc1cc(CN2CCC(C)CC2)c(C)c(CN2CCN(C)[C@H](C)C2)c1.
What is the InChIKey of (2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine?
The InChIKey is ZMIRHZXAXZAZEX-LJQANCHMSA-N. The full InChI is InChI=1S/C22H37N3/c1-17-6-8-24(9-7-17)15-21-12-18(2)13-22(20(21)4)16-25-11-10-23(5)19(3)14-25/h12-13,17,19H,6-11,14-16H2,1-5H3/t19-/m1/s1.
What are the key properties of (2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine?
(2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine has a molecular weight of 343.56 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-[[2,5-dimethyl-3-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-1,2-dimethylpiperazine is sourced from PubChem (CID 99946878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).