1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride

C19H33Cl3N4O — CID 140572824

IUPAC1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride
SMILESCl.Cl.Cl.NC1(CCN2CCN(c3nccc4c3CCO4)CC2)CCCCC1
InChIInChI=1S/C19H30N4O.3ClH/c20-19(6-2-1-3-7-19)8-10-22-11-13-23(14-12-22)18-16-5-15-24-17(16)4-9-21-18;;;/h4,9H,1-3,5-8,10-15,20H2;3*1H
InChIKeyQJGQKYKNNFJZDT-UHFFFAOYSA-N
MW439.86 g/mol
LogP3.46
Rot. Bonds4

About 1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride

1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride (PubChem CID 140572824) has the molecular formula C19H33Cl3N4O and a molecular weight of 439.86 g/mol. Its IUPAC name is 1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride.

Molecular Properties

Compound Name1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride
PubChem CID140572824
Molecular FormulaC19H33Cl3N4O
Molecular Weight439.86 g/mol
Exact Mass438.17
IUPAC Name1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride
SMILESCl.Cl.Cl.NC1(CCN2CCN(c3nccc4c3CCO4)CC2)CCCCC1
InChIInChI=1S/C19H30N4O.3ClH/c20-19(6-2-1-3-7-19)8-10-22-11-13-23(14-12-22)18-16-5-15-24-17(16)4-9-21-18;;;/h4,9H,1-3,5-8,10-15,20H2;3*1H
InChIKeyQJGQKYKNNFJZDT-UHFFFAOYSA-N
XLogP3.46
TPSA54.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.86
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride?
The IUPAC name of 1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride (CID 140572824) is 1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride.
What is the SMILES notation for 1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride?
The canonical SMILES for 1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride is Cl.Cl.Cl.NC1(CCN2CCN(c3nccc4c3CCO4)CC2)CCCCC1.
What is the InChIKey of 1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride?
The InChIKey is QJGQKYKNNFJZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.3ClH/c20-19(6-2-1-3-7-19)8-10-22-11-13-23(14-12-22)18-16-5-15-24-17(16)4-9-21-18;;;/h4,9H,1-3,5-8,10-15,20H2;3*1H.
What are the key properties of 1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride?
1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride has a molecular weight of 439.86 g/mol, XLogP of 3.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[4-(2,3-dihydrofuro[3,2-c]pyridin-4-yl)piperazin-1-yl]ethyl]cyclohexan-1-amine;trihydrochloride is sourced from PubChem (CID 140572824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).