(1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol

C12H24N2O — CID 129494886

IUPAC(1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCN(C2CCNCC2)C1
InChIInChI=1S/C12H24N2O/c1-10(15)11-3-2-8-14(9-11)12-4-6-13-7-5-12/h10-13,15H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyFFFIXTAJALOUFL-MNOVXSKESA-N
MW212.34 g/mol
LogP0.83
Rot. Bonds2

About (1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol

(1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol (PubChem CID 129494886) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is (1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol
PubChem CID129494886
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name(1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol
SMILESC[C@@H](O)[C@H]1CCCN(C2CCNCC2)C1
InChIInChI=1S/C12H24N2O/c1-10(15)11-3-2-8-14(9-11)12-4-6-13-7-5-12/h10-13,15H,2-9H2,1H3/t10-,11+/m1/s1
InChIKeyFFFIXTAJALOUFL-MNOVXSKESA-N
XLogP0.83
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 50.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol?
The IUPAC name of (1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol (CID 129494886) is (1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol.
What is the SMILES notation for (1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol?
The canonical SMILES for (1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol is C[C@@H](O)[C@H]1CCCN(C2CCNCC2)C1.
What is the InChIKey of (1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol?
The InChIKey is FFFIXTAJALOUFL-MNOVXSKESA-N. The full InChI is InChI=1S/C12H24N2O/c1-10(15)11-3-2-8-14(9-11)12-4-6-13-7-5-12/h10-13,15H,2-9H2,1H3/t10-,11+/m1/s1.
What are the key properties of (1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol?
(1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol has a molecular weight of 212.34 g/mol, XLogP of 0.83, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(3S)-1-piperidin-4-ylpiperidin-3-yl]ethanol is sourced from PubChem (CID 129494886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).