(1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane

C18H33N3 — CID 98078438

IUPAC(1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane
SMILESC1CCC(N2CCN(C3[C@@H]4CCC[C@@H]3CNC4)CC2)CC1
InChIInChI=1S/C18H33N3/c1-2-7-17(8-3-1)20-9-11-21(12-10-20)18-15-5-4-6-16(18)14-19-13-15/h15-19H,1-14H2/t15-,16-/m1/s1
InChIKeyBJVYROSUPPUVKH-HZPDHXFCSA-N
MW291.48 g/mol
LogP2.32
Rot. Bonds2

About (1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane

(1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane (PubChem CID 98078438) has the molecular formula C18H33N3 and a molecular weight of 291.48 g/mol. Its IUPAC name is (1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane.

Molecular Properties

Compound Name(1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane
PubChem CID98078438
Molecular FormulaC18H33N3
Molecular Weight291.48 g/mol
Exact Mass291.27
IUPAC Name(1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane
SMILESC1CCC(N2CCN(C3[C@@H]4CCC[C@@H]3CNC4)CC2)CC1
InChIInChI=1S/C18H33N3/c1-2-7-17(8-3-1)20-9-11-21(12-10-20)18-15-5-4-6-16(18)14-19-13-15/h15-19H,1-14H2/t15-,16-/m1/s1
InChIKeyBJVYROSUPPUVKH-HZPDHXFCSA-N
XLogP2.32
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.48
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(1S,5S)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane
CID 98078439
5-cyclopentyl-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 66213126
(12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocycloundeca[c]pyrrole
CID 122625912
5-cyclopentyl-1,2,3,3a,4,6,7,7a-octahydropyrrolo[3,4-c]pyridine
CID 130578140
4-(azetidin-3-yl)-1-cyclopropylpiperidine
CID 138111863
1-cyclooctylpyrrolidine
CID 23277874
1-cyclohexylazocane
CID 23151203
1-cyclooctylpiperidine
CID 89210756
1-cycloheptylpiperazine;methane
CID 143122535
1-cyclohexylpiperidine;methane
CID 143122486
1-cyclohexyl-1,3-diazetidine
CID 20659802
(3aS,6aR)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrole;hydrochloride
CID 67080793

Frequently Asked Questions

What is the IUPAC name of (1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane?
The IUPAC name of (1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane (CID 98078438) is (1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane.
What is the SMILES notation for (1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane?
The canonical SMILES for (1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane is C1CCC(N2CCN(C3[C@@H]4CCC[C@@H]3CNC4)CC2)CC1.
What is the InChIKey of (1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane?
The InChIKey is BJVYROSUPPUVKH-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H33N3/c1-2-7-17(8-3-1)20-9-11-21(12-10-20)18-15-5-4-6-16(18)14-19-13-15/h15-19H,1-14H2/t15-,16-/m1/s1.
What are the key properties of (1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane?
(1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane has a molecular weight of 291.48 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,5R)-9-(4-cyclohexylpiperazin-1-yl)-3-azabicyclo[3.3.1]nonane is sourced from PubChem (CID 98078438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).