2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride

C19H37Cl2N3O3 — CID 19602925

IUPAC2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)COC1CCC(N2CCN(CCC3CCNCC3)CC2)CC1
InChIInChI=1S/C19H35N3O3.2ClH/c23-19(24)15-25-18-3-1-17(2-4-18)22-13-11-21(12-14-22)10-7-16-5-8-20-9-6-16;;/h16-18,20H,1-15H2,(H,23,24);2*1H
InChIKeyMWUSVHAJDCSYGN-UHFFFAOYSA-N
MW426.43 g/mol
LogP2.25
Rot. Bonds7

About 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride

2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride (PubChem CID 19602925) has the molecular formula C19H37Cl2N3O3 and a molecular weight of 426.43 g/mol. Its IUPAC name is 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride.

Molecular Properties

Compound Name2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride
PubChem CID19602925
Molecular FormulaC19H37Cl2N3O3
Molecular Weight426.43 g/mol
Exact Mass425.22
IUPAC Name2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride
SMILESCl.Cl.O=C(O)COC1CCC(N2CCN(CCC3CCNCC3)CC2)CC1
InChIInChI=1S/C19H35N3O3.2ClH/c23-19(24)15-25-18-3-1-17(2-4-18)22-13-11-21(12-14-22)10-7-16-5-8-20-9-6-16;;/h16-18,20H,1-15H2,(H,23,24);2*1H
InChIKeyMWUSVHAJDCSYGN-UHFFFAOYSA-N
XLogP2.25
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride with MolForge

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Related Compounds

1-cyclopropyl-4-(2-piperidin-4-ylethyl)piperazine;dihydrochloride
CID 120663613
2-(1-piperidin-4-ylpiperidin-4-yl)oxyacetic acid
CID 68693446
1-cyclopropyl-4-(3-piperidin-4-ylpropyl)piperazine
CID 62212520
methyl 2-[1-[3-(4-piperidin-4-ylpiperazin-1-yl)propanoyl]piperidin-4-yl]oxyacetate;trihydrochloride
CID 67598531
2-[1-[2-(4-piperidin-4-ylbutanoylamino)acetyl]piperidin-4-yl]oxyacetic acid
CID 139686553
2-[6-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]pyridazin-3-yl]oxyacetic acid
CID 19602888
2-[9-(2-piperidin-4-ylethyl)-3,9-diazaspiro[5.5]undecan-3-yl]acetic acid;tris(2,2,2-trifluoroacetic acid)
CID 158970546
3-(4-piperidin-4-ylpiperazin-1-yl)propanamide
CID 174385756
1-(azetidin-3-yl)-4-(2-cyclopropylethyl)piperazine
CID 66203927
2-[1-[2-(2-oxo-4-piperidin-4-ylpiperazin-1-yl)acetyl]piperidin-4-yl]oxyacetic acid
CID 18971570
3-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]phenyl]propanoic acid;dihydrochloride
CID 19602805
2-[4-[3-oxo-3-(4-piperidin-4-ylpiperazin-1-yl)propyl]piperidin-1-yl]acetic acid;trihydrochloride
CID 139782779

Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride?
The IUPAC name of 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride (CID 19602925) is 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride.
What is the SMILES notation for 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride?
The canonical SMILES for 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride is Cl.Cl.O=C(O)COC1CCC(N2CCN(CCC3CCNCC3)CC2)CC1.
What is the InChIKey of 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride?
The InChIKey is MWUSVHAJDCSYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H35N3O3.2ClH/c23-19(24)15-25-18-3-1-17(2-4-18)22-13-11-21(12-14-22)10-7-16-5-8-20-9-6-16;;/h16-18,20H,1-15H2,(H,23,24);2*1H.
What are the key properties of 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride?
2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride has a molecular weight of 426.43 g/mol, XLogP of 2.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-(2-piperidin-4-ylethyl)piperazin-1-yl]cyclohexyl]oxyacetic acid;dihydrochloride is sourced from PubChem (CID 19602925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).