1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride

C12H26Cl2N2O — CID 56831674

IUPAC1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.OC1CCN(CCC2CCCNC2)CC1
InChIInChI=1S/C12H24N2O.2ClH/c15-12-4-8-14(9-5-12)7-3-11-2-1-6-13-10-11;;/h11-13,15H,1-10H2;2*1H
InChIKeyVKLKSSOSERFYAD-UHFFFAOYSA-N
MW285.26 g/mol
LogP1.68
Rot. Bonds3

About 1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride

1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride (PubChem CID 56831674) has the molecular formula C12H26Cl2N2O and a molecular weight of 285.26 g/mol. Its IUPAC name is 1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride
PubChem CID56831674
Molecular FormulaC12H26Cl2N2O
Molecular Weight285.26 g/mol
Exact Mass284.14
IUPAC Name1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride
SMILESCl.Cl.OC1CCN(CCC2CCCNC2)CC1
InChIInChI=1S/C12H24N2O.2ClH/c15-12-4-8-14(9-5-12)7-3-11-2-1-6-13-10-11;;/h11-13,15H,1-10H2;2*1H
InChIKeyVKLKSSOSERFYAD-UHFFFAOYSA-N
XLogP1.68
TPSA35.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride?
The IUPAC name of 1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride (CID 56831674) is 1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride?
The canonical SMILES for 1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride is Cl.Cl.OC1CCN(CCC2CCCNC2)CC1.
What is the InChIKey of 1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride?
The InChIKey is VKLKSSOSERFYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N2O.2ClH/c15-12-4-8-14(9-5-12)7-3-11-2-1-6-13-10-11;;/h11-13,15H,1-10H2;2*1H.
What are the key properties of 1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride?
1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride has a molecular weight of 285.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-piperidin-3-ylethyl)piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 56831674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).