1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride

C10H22Cl2N2O — CID 56831532

IUPAC1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1CCN(CC2CCCNC2)C1
InChIInChI=1S/C10H20N2O.2ClH/c13-10-3-5-12(8-10)7-9-2-1-4-11-6-9;;/h9-11,13H,1-8H2;2*1H
InChIKeyFHIUBFTUQCTPBO-UHFFFAOYSA-N
MW257.20 g/mol
LogP0.90
Rot. Bonds2

About 1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride

1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride (PubChem CID 56831532) has the molecular formula C10H22Cl2N2O and a molecular weight of 257.20 g/mol. Its IUPAC name is 1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride.

Molecular Properties

Compound Name1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride
PubChem CID56831532
Molecular FormulaC10H22Cl2N2O
Molecular Weight257.20 g/mol
Exact Mass256.11
IUPAC Name1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride
SMILESCl.Cl.OC1CCN(CC2CCCNC2)C1
InChIInChI=1S/C10H20N2O.2ClH/c13-10-3-5-12(8-10)7-9-2-1-4-11-6-9;;/h9-11,13H,1-8H2;2*1H
InChIKeyFHIUBFTUQCTPBO-UHFFFAOYSA-N
XLogP0.90
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.20
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride?
The IUPAC name of 1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride (CID 56831532) is 1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride.
What is the SMILES notation for 1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride?
The canonical SMILES for 1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride is Cl.Cl.OC1CCN(CC2CCCNC2)C1.
What is the InChIKey of 1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride?
The InChIKey is FHIUBFTUQCTPBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20N2O.2ClH/c13-10-3-5-12(8-10)7-9-2-1-4-11-6-9;;/h9-11,13H,1-8H2;2*1H.
What are the key properties of 1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride?
1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride has a molecular weight of 257.20 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(piperidin-3-ylmethyl)pyrrolidin-3-ol;dihydrochloride is sourced from PubChem (CID 56831532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).