1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride

C19H38Cl2N2 — CID 69431994

IUPAC1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride
SMILESC1CCC(CC(CC2CCCCC2)N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C19H36N2.2ClH/c1-3-7-17(8-4-1)15-19(21-13-11-20-12-14-21)16-18-9-5-2-6-10-18;;/h17-20H,1-16H2;2*1H
InChIKeyJRHAVTNOQWCSAN-UHFFFAOYSA-N
MW365.43 g/mol
LogP5.04
Rot. Bonds5

About 1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride

1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride (PubChem CID 69431994) has the molecular formula C19H38Cl2N2 and a molecular weight of 365.43 g/mol. Its IUPAC name is 1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride.

Molecular Properties

Compound Name1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride
PubChem CID69431994
Molecular FormulaC19H38Cl2N2
Molecular Weight365.43 g/mol
Exact Mass364.24
IUPAC Name1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride
SMILESC1CCC(CC(CC2CCCCC2)N2CCNCC2)CC1.Cl.Cl
InChIInChI=1S/C19H36N2.2ClH/c1-3-7-17(8-4-1)15-19(21-13-11-20-12-14-21)16-18-9-5-2-6-10-18;;/h17-20H,1-16H2;2*1H
InChIKeyJRHAVTNOQWCSAN-UHFFFAOYSA-N
XLogP5.04
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.43
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride?
The IUPAC name of 1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride (CID 69431994) is 1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride.
What is the SMILES notation for 1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride?
The canonical SMILES for 1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride is C1CCC(CC(CC2CCCCC2)N2CCNCC2)CC1.Cl.Cl.
What is the InChIKey of 1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride?
The InChIKey is JRHAVTNOQWCSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H36N2.2ClH/c1-3-7-17(8-4-1)15-19(21-13-11-20-12-14-21)16-18-9-5-2-6-10-18;;/h17-20H,1-16H2;2*1H.
What are the key properties of 1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride?
1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride has a molecular weight of 365.43 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dicyclohexylpropan-2-yl)piperazine;dihydrochloride is sourced from PubChem (CID 69431994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).