1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol

C16H32N2O — CID 53193309

IUPAC1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol
SMILESCC(C)CN1CCC(N2CCC(C(C)O)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)12-17-8-6-16(7-9-17)18-10-4-15(5-11-18)14(3)19/h13-16,19H,4-12H2,1-3H3
InChIKeyAROXWTKGNCJMAN-UHFFFAOYSA-N
MW268.44 g/mol
LogP2.20
Rot. Bonds4

About 1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol

1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol (PubChem CID 53193309) has the molecular formula C16H32N2O and a molecular weight of 268.44 g/mol. Its IUPAC name is 1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol
PubChem CID53193309
Molecular FormulaC16H32N2O
Molecular Weight268.44 g/mol
Exact Mass268.25
IUPAC Name1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol
SMILESCC(C)CN1CCC(N2CCC(C(C)O)CC2)CC1
InChIInChI=1S/C16H32N2O/c1-13(2)12-17-8-6-16(7-9-17)18-10-4-15(5-11-18)14(3)19/h13-16,19H,4-12H2,1-3H3
InChIKeyAROXWTKGNCJMAN-UHFFFAOYSA-N
XLogP2.20
TPSA26.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.44
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol?
The IUPAC name of 1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol (CID 53193309) is 1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol.
What is the SMILES notation for 1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol?
The canonical SMILES for 1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol is CC(C)CN1CCC(N2CCC(C(C)O)CC2)CC1.
What is the InChIKey of 1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol?
The InChIKey is AROXWTKGNCJMAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32N2O/c1-13(2)12-17-8-6-16(7-9-17)18-10-4-15(5-11-18)14(3)19/h13-16,19H,4-12H2,1-3H3.
What are the key properties of 1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol?
1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol has a molecular weight of 268.44 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[1-(2-methylpropyl)piperidin-4-yl]piperidin-4-yl]ethanol is sourced from PubChem (CID 53193309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).