1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride

C12H27Cl2N3O — CID 67523899

IUPAC1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride
SMILESCl.Cl.NC1CCN(CCN2CCC(O)CC2)CC1
InChIInChI=1S/C12H25N3O.2ClH/c13-11-1-5-14(6-2-11)9-10-15-7-3-12(16)4-8-15;;/h11-12,16H,1-10,13H2;2*1H
InChIKeyJJQKBDUCWXTPFJ-UHFFFAOYSA-N
MW300.27 g/mol
LogP0.71
Rot. Bonds3

About 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride

1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride (PubChem CID 67523899) has the molecular formula C12H27Cl2N3O and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride.

Molecular Properties

Compound Name1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride
PubChem CID67523899
Molecular FormulaC12H27Cl2N3O
Molecular Weight300.27 g/mol
Exact Mass299.15
IUPAC Name1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride
SMILESCl.Cl.NC1CCN(CCN2CCC(O)CC2)CC1
InChIInChI=1S/C12H25N3O.2ClH/c13-11-1-5-14(6-2-11)9-10-15-7-3-12(16)4-8-15;;/h11-12,16H,1-10,13H2;2*1H
InChIKeyJJQKBDUCWXTPFJ-UHFFFAOYSA-N
XLogP0.71
TPSA52.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.27
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-aminopiperidin-1-yl)ethanol
CID 15733445
1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
CID 86637499
cyclopropanamine;cyclopropanol
CID 67718225
1-(2-methoxyethyl)piperidin-4-amine;hydrochloride
CID 146675245
1-(3,3,3-trifluoropropyl)piperidin-4-amine;dihydrochloride
CID 90482882
1-[2-(3-methylpyrrolidin-1-yl)ethyl]piperidin-4-amine
CID 79328360
1-[2-(4-propylpiperidin-1-yl)ethyl]piperidin-4-amine
CID 79327456
6-(4-aminopiperidin-1-yl)hexan-1-ol
CID 70276836
1-(cyclopropylmethyl)piperidin-4-ol
CID 21428752
4-(4-aminopiperidin-1-yl)butanamide
CID 118533814
1-[2-[4-[(dimethylamino)methyl]piperidin-1-yl]ethyl]piperidin-4-amine
CID 79328289
1-[2-(1,4-oxazepan-4-yl)ethyl]piperidin-4-amine
CID 79328295

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride?
The IUPAC name of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride (CID 67523899) is 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride.
What is the SMILES notation for 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride?
The canonical SMILES for 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride is Cl.Cl.NC1CCN(CCN2CCC(O)CC2)CC1.
What is the InChIKey of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride?
The InChIKey is JJQKBDUCWXTPFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25N3O.2ClH/c13-11-1-5-14(6-2-11)9-10-15-7-3-12(16)4-8-15;;/h11-12,16H,1-10,13H2;2*1H.
What are the key properties of 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride?
1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride has a molecular weight of 300.27 g/mol, XLogP of 0.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidin-1-yl)ethyl]piperidin-4-ol;dihydrochloride is sourced from PubChem (CID 67523899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).