[1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride

C8H20Cl2N2O — CID 54592749

IUPAC[1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride
SMILESCl.Cl.NCCN1CCC(CO)CC1
InChIInChI=1S/C8H18N2O.2ClH/c9-3-6-10-4-1-8(7-11)2-5-10;;/h8,11H,1-7,9H2;2*1H
InChIKeyPVQNFMWISGZVBZ-UHFFFAOYSA-N
MW231.17 g/mol
LogP0.49
Rot. Bonds3

About [1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride

[1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride (PubChem CID 54592749) has the molecular formula C8H20Cl2N2O and a molecular weight of 231.17 g/mol. Its IUPAC name is [1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride.

Molecular Properties

Compound Name[1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride
PubChem CID54592749
Molecular FormulaC8H20Cl2N2O
Molecular Weight231.17 g/mol
Exact Mass230.10
IUPAC Name[1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride
SMILESCl.Cl.NCCN1CCC(CO)CC1
InChIInChI=1S/C8H18N2O.2ClH/c9-3-6-10-4-1-8(7-11)2-5-10;;/h8,11H,1-7,9H2;2*1H
InChIKeyPVQNFMWISGZVBZ-UHFFFAOYSA-N
XLogP0.49
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.17
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride?
The IUPAC name of [1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride (CID 54592749) is [1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride.
What is the SMILES notation for [1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride?
The canonical SMILES for [1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride is Cl.Cl.NCCN1CCC(CO)CC1.
What is the InChIKey of [1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride?
The InChIKey is PVQNFMWISGZVBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H18N2O.2ClH/c9-3-6-10-4-1-8(7-11)2-5-10;;/h8,11H,1-7,9H2;2*1H.
What are the key properties of [1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride?
[1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride has a molecular weight of 231.17 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-aminoethyl)piperidin-4-yl]methanol;dihydrochloride is sourced from PubChem (CID 54592749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).