1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol

C17H32N2O — CID 83996635

IUPAC1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC2CC2)CN(C2CCCCC2)C1
InChIInChI=1S/C17H32N2O/c1-13(20)15-9-16(18-10-14-7-8-14)12-19(11-15)17-5-3-2-4-6-17/h13-18,20H,2-12H2,1H3
InChIKeyRBWIXHXASCKGFZ-UHFFFAOYSA-N
MW280.46 g/mol
LogP2.39
Rot. Bonds5

About 1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol

1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol (PubChem CID 83996635) has the molecular formula C17H32N2O and a molecular weight of 280.46 g/mol. Its IUPAC name is 1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol.

Molecular Properties

Compound Name1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol
PubChem CID83996635
Molecular FormulaC17H32N2O
Molecular Weight280.46 g/mol
Exact Mass280.25
IUPAC Name1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol
SMILESCC(O)C1CC(NCC2CC2)CN(C2CCCCC2)C1
InChIInChI=1S/C17H32N2O/c1-13(20)15-9-16(18-10-14-7-8-14)12-19(11-15)17-5-3-2-4-6-17/h13-18,20H,2-12H2,1H3
InChIKeyRBWIXHXASCKGFZ-UHFFFAOYSA-N
XLogP2.39
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.46
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol?
The IUPAC name of 1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol (CID 83996635) is 1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol.
What is the SMILES notation for 1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol?
The canonical SMILES for 1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol is CC(O)C1CC(NCC2CC2)CN(C2CCCCC2)C1.
What is the InChIKey of 1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol?
The InChIKey is RBWIXHXASCKGFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N2O/c1-13(20)15-9-16(18-10-14-7-8-14)12-19(11-15)17-5-3-2-4-6-17/h13-18,20H,2-12H2,1H3.
What are the key properties of 1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol?
1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol has a molecular weight of 280.46 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-cyclohexyl-5-(cyclopropylmethylamino)piperidin-3-yl]ethanol is sourced from PubChem (CID 83996635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).