(3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride

C9H20Cl2N2O — CID 75530879

IUPAC(3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.O[C@H]1CNC[C@@H]1N1CCCCC1
InChIInChI=1S/C9H18N2O.2ClH/c12-9-7-10-6-8(9)11-4-2-1-3-5-11;;/h8-10,12H,1-7H2;2*1H/t8-,9-;;/m0../s1
InChIKeyPUIOHVLJIQDJCL-CDEWPDHBSA-N
MW243.18 g/mol
LogP0.65
Rot. Bonds1

About (3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride

(3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride (PubChem CID 75530879) has the molecular formula C9H20Cl2N2O and a molecular weight of 243.18 g/mol. Its IUPAC name is (3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name(3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride
PubChem CID75530879
Molecular FormulaC9H20Cl2N2O
Molecular Weight243.18 g/mol
Exact Mass242.10
IUPAC Name(3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.O[C@H]1CNC[C@@H]1N1CCCCC1
InChIInChI=1S/C9H18N2O.2ClH/c12-9-7-10-6-8(9)11-4-2-1-3-5-11;;/h8-10,12H,1-7H2;2*1H/t8-,9-;;/m0../s1
InChIKeyPUIOHVLJIQDJCL-CDEWPDHBSA-N
XLogP0.65
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.18
LogP ≤ 50.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride?
The IUPAC name of (3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride (CID 75530879) is (3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for (3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for (3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride is Cl.Cl.O[C@H]1CNC[C@@H]1N1CCCCC1.
What is the InChIKey of (3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride?
The InChIKey is PUIOHVLJIQDJCL-CDEWPDHBSA-N. The full InChI is InChI=1S/C9H18N2O.2ClH/c12-9-7-10-6-8(9)11-4-2-1-3-5-11;;/h8-10,12H,1-7H2;2*1H/t8-,9-;;/m0../s1.
What are the key properties of (3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride?
(3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride has a molecular weight of 243.18 g/mol, XLogP of 0.65, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-piperidin-1-ylpyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 75530879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).