2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol

C18H36N2O — CID 79540258

IUPAC2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCCCC1C1CCCCN1
InChIInChI=1S/C18H36N2O/c1-14(2)12-18(3,21)13-20-17-9-5-4-8-15(17)16-10-6-7-11-19-16/h14-17,19-21H,4-13H2,1-3H3
InChIKeyDHGLEDFIEGSLPB-UHFFFAOYSA-N
MW296.50 g/mol
LogP3.07
Rot. Bonds6

About 2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol

2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol (PubChem CID 79540258) has the molecular formula C18H36N2O and a molecular weight of 296.50 g/mol. Its IUPAC name is 2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol.

Molecular Properties

Compound Name2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol
PubChem CID79540258
Molecular FormulaC18H36N2O
Molecular Weight296.50 g/mol
Exact Mass296.28
IUPAC Name2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol
SMILESCC(C)CC(C)(O)CNC1CCCCC1C1CCCCN1
InChIInChI=1S/C18H36N2O/c1-14(2)12-18(3,21)13-20-17-9-5-4-8-15(17)16-10-6-7-11-19-16/h14-17,19-21H,4-13H2,1-3H3
InChIKeyDHGLEDFIEGSLPB-UHFFFAOYSA-N
XLogP3.07
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.50
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol?
The IUPAC name of 2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol (CID 79540258) is 2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol.
What is the SMILES notation for 2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol?
The canonical SMILES for 2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol is CC(C)CC(C)(O)CNC1CCCCC1C1CCCCN1.
What is the InChIKey of 2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol?
The InChIKey is DHGLEDFIEGSLPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36N2O/c1-14(2)12-18(3,21)13-20-17-9-5-4-8-15(17)16-10-6-7-11-19-16/h14-17,19-21H,4-13H2,1-3H3.
What are the key properties of 2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol?
2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol has a molecular weight of 296.50 g/mol, XLogP of 3.07, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-[(2-piperidin-2-ylcyclohexyl)amino]pentan-2-ol is sourced from PubChem (CID 79540258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).