(3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol

C9H18N2O2 — CID 126846710

IUPAC(3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol
SMILESNC1CCN([C@@H]2COC[C@H]2O)CC1
InChIInChI=1S/C9H18N2O2/c10-7-1-3-11(4-2-7)8-5-13-6-9(8)12/h7-9,12H,1-6,10H2/t8-,9-/m1/s1
InChIKeyZFMAVIIJBKNFSK-RKDXNWHRSA-N
MW186.25 g/mol
LogP-0.83
Rot. Bonds1

About (3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol

(3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol (PubChem CID 126846710) has the molecular formula C9H18N2O2 and a molecular weight of 186.25 g/mol. Its IUPAC name is (3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol
PubChem CID126846710
Molecular FormulaC9H18N2O2
Molecular Weight186.25 g/mol
Exact Mass186.14
IUPAC Name(3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol
SMILESNC1CCN([C@@H]2COC[C@H]2O)CC1
InChIInChI=1S/C9H18N2O2/c10-7-1-3-11(4-2-7)8-5-13-6-9(8)12/h7-9,12H,1-6,10H2/t8-,9-/m1/s1
InChIKeyZFMAVIIJBKNFSK-RKDXNWHRSA-N
XLogP-0.83
TPSA58.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.25
LogP ≤ 5-0.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol?
The IUPAC name of (3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol (CID 126846710) is (3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol is NC1CCN([C@@H]2COC[C@H]2O)CC1.
What is the InChIKey of (3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol?
The InChIKey is ZFMAVIIJBKNFSK-RKDXNWHRSA-N. The full InChI is InChI=1S/C9H18N2O2/c10-7-1-3-11(4-2-7)8-5-13-6-9(8)12/h7-9,12H,1-6,10H2/t8-,9-/m1/s1.
What are the key properties of (3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol?
(3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol has a molecular weight of 186.25 g/mol, XLogP of -0.83, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(4-aminopiperidin-1-yl)oxolan-3-ol is sourced from PubChem (CID 126846710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).