6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol

C21H36N2O — CID 56852993

IUPAC6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol
SMILESCc1cc(C)cc(N2CCC(NC(C)CCCC(C)(C)O)CC2)c1
InChIInChI=1S/C21H36N2O/c1-16-13-17(2)15-20(14-16)23-11-8-19(9-12-23)22-18(3)7-6-10-21(4,5)24/h13-15,18-19,22,24H,6-12H2,1-5H3
InChIKeyKFMSOJKJEYMZKO-UHFFFAOYSA-N
MW332.53 g/mol
LogP4.19
Rot. Bonds7

About 6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol

6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol (PubChem CID 56852993) has the molecular formula C21H36N2O and a molecular weight of 332.53 g/mol. Its IUPAC name is 6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol.

Molecular Properties

Compound Name6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol
PubChem CID56852993
Molecular FormulaC21H36N2O
Molecular Weight332.53 g/mol
Exact Mass332.28
IUPAC Name6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol
SMILESCc1cc(C)cc(N2CCC(NC(C)CCCC(C)(C)O)CC2)c1
InChIInChI=1S/C21H36N2O/c1-16-13-17(2)15-20(14-16)23-11-8-19(9-12-23)22-18(3)7-6-10-21(4,5)24/h13-15,18-19,22,24H,6-12H2,1-5H3
InChIKeyKFMSOJKJEYMZKO-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

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol?
The IUPAC name of 6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol (CID 56852993) is 6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol.
What is the SMILES notation for 6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol?
The canonical SMILES for 6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol is Cc1cc(C)cc(N2CCC(NC(C)CCCC(C)(C)O)CC2)c1.
What is the InChIKey of 6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol?
The InChIKey is KFMSOJKJEYMZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36N2O/c1-16-13-17(2)15-20(14-16)23-11-8-19(9-12-23)22-18(3)7-6-10-21(4,5)24/h13-15,18-19,22,24H,6-12H2,1-5H3.
What are the key properties of 6-[[1-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol?
6-[[1-(3,5-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-(3,5-dimethylphenyl)piperidin-4-yl]amino]-2-methylheptan-2-ol is sourced from PubChem (CID 56852993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).