6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol

C21H36N2O — CID 56859983

IUPAC6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol
SMILESCc1cccc(N2CCC(NC(C)CCCC(C)(C)O)CC2)c1C
InChIInChI=1S/C21H36N2O/c1-16-8-6-10-20(18(16)3)23-14-11-19(12-15-23)22-17(2)9-7-13-21(4,5)24/h6,8,10,17,19,22,24H,7,9,11-15H2,1-5H3
InChIKeyMKNMLRUTIALSAR-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.19
Rot. Bonds7

About 6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol

6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol (PubChem CID 56859983) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol.

Molecular Properties

Compound Name6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol
PubChem CID56859983
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol
SMILESCc1cccc(N2CCC(NC(C)CCCC(C)(C)O)CC2)c1C
InChIInChI=1S/C21H36N2O/c1-16-8-6-10-20(18(16)3)23-14-11-19(12-15-23)22-17(2)9-7-13-21(4,5)24/h6,8,10,17,19,22,24H,7,9,11-15H2,1-5H3
InChIKeyMKNMLRUTIALSAR-UHFFFAOYSA-N
XLogP4.19
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.53
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol 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

(2S)-2-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-4-methylsulfanylbutan-1-ol
CID 131949225
2,6-dimethyl-8-[[1-(3-methylphenyl)piperidin-4-yl]amino]octan-2-ol
CID 56859608
2-(tert-butylamino)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanone
CID 109004217
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-4-ylbutan-1-one
CID 119828414
4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3,3-dimethylbutan-2-ol
CID 66454764
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one
CID 119828393
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-methylpropan-2-amine
CID 55135743
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-methyl-N-(3-methylbutyl)propanamide
CID 169180327
2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-N-[(2R)-pentan-2-yl]acetamide
CID 8582991
N-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-2,2-dimethylpropanamide
CID 17404196
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-piperidin-3-ylbutan-1-one;dihydrochloride
CID 119828392
1-[4-(2,3-dimethylphenyl)piperazin-1-yl]ethanol
CID 142710465

Frequently Asked Questions

What is the IUPAC name of 6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol?
The IUPAC name of 6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol (CID 56859983) is 6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol.
What is the SMILES notation for 6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol?
The canonical SMILES for 6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol is Cc1cccc(N2CCC(NC(C)CCCC(C)(C)O)CC2)c1C.
What is the InChIKey of 6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol?
The InChIKey is MKNMLRUTIALSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-16-8-6-10-20(18(16)3)23-14-11-19(12-15-23)22-17(2)9-7-13-21(4,5)24/h6,8,10,17,19,22,24H,7,9,11-15H2,1-5H3.
What are the key properties of 6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol?
6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol has a molecular weight of 332.53 g/mol, XLogP of 4.19, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-(2,3-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol is sourced from PubChem (CID 56859983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).