(1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol

C17H31NO2 — CID 99778651

IUPAC(1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol
SMILESC[C@H](O)C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C17H31NO2/c1-14(19)15-6-11-18(12-7-15)13-16-5-10-17(20-16)8-3-2-4-9-17/h14-16,19H,2-13H2,1H3/t14-,16-/m0/s1
InChIKeySACXFDXVDRUABA-HOCLYGCPSA-N
MW281.44 g/mol
LogP2.96
Rot. Bonds3

About (1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol

(1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol (PubChem CID 99778651) has the molecular formula C17H31NO2 and a molecular weight of 281.44 g/mol. Its IUPAC name is (1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol.

Molecular Properties

Compound Name(1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol
PubChem CID99778651
Molecular FormulaC17H31NO2
Molecular Weight281.44 g/mol
Exact Mass281.24
IUPAC Name(1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol
SMILESC[C@H](O)C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1
InChIInChI=1S/C17H31NO2/c1-14(19)15-6-11-18(12-7-15)13-16-5-10-17(20-16)8-3-2-4-9-17/h14-16,19H,2-13H2,1H3/t14-,16-/m0/s1
InChIKeySACXFDXVDRUABA-HOCLYGCPSA-N
XLogP2.96
TPSA32.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol?
The IUPAC name of (1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol (CID 99778651) is (1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol.
What is the SMILES notation for (1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol?
The canonical SMILES for (1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol is C[C@H](O)C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1.
What is the InChIKey of (1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol?
The InChIKey is SACXFDXVDRUABA-HOCLYGCPSA-N. The full InChI is InChI=1S/C17H31NO2/c1-14(19)15-6-11-18(12-7-15)13-16-5-10-17(20-16)8-3-2-4-9-17/h14-16,19H,2-13H2,1H3/t14-,16-/m0/s1.
What are the key properties of (1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol?
(1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol has a molecular weight of 281.44 g/mol, XLogP of 2.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[1-[[(2S)-1-oxaspiro[4.5]decan-2-yl]methyl]piperidin-4-yl]ethanol is sourced from PubChem (CID 99778651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).