1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine

C22H37N3O — CID 99935685

IUPAC1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine
SMILESCOC[C@H]1CCCN(Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1
InChIInChI=1S/C22H37N3O/c1-18-12-19(2)22(16-25-7-5-6-20(14-25)17-26-4)13-21(18)15-24-10-8-23(3)9-11-24/h12-13,20H,5-11,14-17H2,1-4H3/t20-/m0/s1
InChIKeyFCHCBWWLHAJQPU-FQEVSTJZSA-N
MW359.56 g/mol
LogP2.91
Rot. Bonds6

About 1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine

1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine (PubChem CID 99935685) has the molecular formula C22H37N3O and a molecular weight of 359.56 g/mol. Its IUPAC name is 1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine
PubChem CID99935685
Molecular FormulaC22H37N3O
Molecular Weight359.56 g/mol
Exact Mass359.29
IUPAC Name1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine
SMILESCOC[C@H]1CCCN(Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1
InChIInChI=1S/C22H37N3O/c1-18-12-19(2)22(16-25-7-5-6-20(14-25)17-26-4)13-21(18)15-24-10-8-23(3)9-11-24/h12-13,20H,5-11,14-17H2,1-4H3/t20-/m0/s1
InChIKeyFCHCBWWLHAJQPU-FQEVSTJZSA-N
XLogP2.91
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.56
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3-methylbenzenecarbothioamide
CID 106586961
1-[[2,4-dimethyl-5-[(4-methylpiperazin-1-yl)methyl]phenyl]methyl]pyrrolidine-3-carboxylic acid
CID 91838509
5-bromo-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]aniline
CID 106586019
4-amino-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenol
CID 106586086
1-[[2,5-dimethyl-3-[[(3R)-3-methylpiperidin-1-yl]methyl]phenyl]methyl]-4-methylpiperazine
CID 99928526
3-[2-[[3-(methoxymethyl)piperidin-1-yl]methyl]phenyl]prop-2-yn-1-amine
CID 106588436
2-[3-(methoxymethyl)piperidin-1-yl]-1-(2,4,5-trimethylphenyl)ethanone
CID 106587762
(3S)-3-(methoxymethyl)-1-methylpiperidine
CID 58134332
N'-hydroxy-2-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzenecarboximidamide
CID 106587061
4-methoxy-3-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoic acid
CID 106588718
methyl 2-amino-6-[[3-(methoxymethyl)piperidin-1-yl]methyl]benzoate
CID 106585977
8-[[3-(methoxymethyl)piperidin-1-yl]methyl]-3,4-dihydro-2H-1,4-benzoxazine
CID 106587385

Frequently Asked Questions

What is the IUPAC name of 1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine?
The IUPAC name of 1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine (CID 99935685) is 1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine.
What is the SMILES notation for 1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine?
The canonical SMILES for 1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine is COC[C@H]1CCCN(Cc2cc(CN3CCN(C)CC3)c(C)cc2C)C1.
What is the InChIKey of 1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine?
The InChIKey is FCHCBWWLHAJQPU-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H37N3O/c1-18-12-19(2)22(16-25-7-5-6-20(14-25)17-26-4)13-21(18)15-24-10-8-23(3)9-11-24/h12-13,20H,5-11,14-17H2,1-4H3/t20-/m0/s1.
What are the key properties of 1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine?
1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine has a molecular weight of 359.56 g/mol, XLogP of 2.91, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[[(3S)-3-(methoxymethyl)piperidin-1-yl]methyl]-2,4-dimethylphenyl]methyl]-4-methylpiperazine is sourced from PubChem (CID 99935685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).