2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol

C19H36N2O — CID 83999478

IUPAC2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol
SMILESCCC(C1CC1)N1CC(CCO)CC(NC2CCCCC2)C1
InChIInChI=1S/C19H36N2O/c1-2-19(16-8-9-16)21-13-15(10-11-22)12-18(14-21)20-17-6-4-3-5-7-17/h15-20,22H,2-14H2,1H3
InChIKeyTYFXGRPFOJIEDK-UHFFFAOYSA-N
MW308.51 g/mol
LogP3.17
Rot. Bonds7

About 2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol

2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol (PubChem CID 83999478) has the molecular formula C19H36N2O and a molecular weight of 308.51 g/mol. Its IUPAC name is 2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol
PubChem CID83999478
Molecular FormulaC19H36N2O
Molecular Weight308.51 g/mol
Exact Mass308.28
IUPAC Name2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol
SMILESCCC(C1CC1)N1CC(CCO)CC(NC2CCCCC2)C1
InChIInChI=1S/C19H36N2O/c1-2-19(16-8-9-16)21-13-15(10-11-22)12-18(14-21)20-17-6-4-3-5-7-17/h15-20,22H,2-14H2,1H3
InChIKeyTYFXGRPFOJIEDK-UHFFFAOYSA-N
XLogP3.17
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.51
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol?
The IUPAC name of 2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol (CID 83999478) is 2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol.
What is the SMILES notation for 2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol?
The canonical SMILES for 2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol is CCC(C1CC1)N1CC(CCO)CC(NC2CCCCC2)C1.
What is the InChIKey of 2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol?
The InChIKey is TYFXGRPFOJIEDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2O/c1-2-19(16-8-9-16)21-13-15(10-11-22)12-18(14-21)20-17-6-4-3-5-7-17/h15-20,22H,2-14H2,1H3.
What are the key properties of 2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol?
2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol has a molecular weight of 308.51 g/mol, XLogP of 3.17, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(cyclohexylamino)-1-(1-cyclopropylpropyl)piperidin-3-yl]ethanol is sourced from PubChem (CID 83999478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).