(1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane

C10H19N3 — CID 91989728

IUPAC(1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane
SMILESCN1C[C@@H]2C(N3CCNCC3)[C@@H]2C1
InChIInChI=1S/C10H19N3/c1-12-6-8-9(7-12)10(8)13-4-2-11-3-5-13/h8-11H,2-7H2,1H3/t8-,9+,10?
InChIKeyPCRQJLWATGKLOR-ULKQDVFKSA-N
MW181.28 g/mol
LogP-0.55
Rot. Bonds1

About (1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane

(1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane (PubChem CID 91989728) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane.

Molecular Properties

Compound Name(1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane
PubChem CID91989728
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane
SMILESCN1C[C@@H]2C(N3CCNCC3)[C@@H]2C1
InChIInChI=1S/C10H19N3/c1-12-6-8-9(7-12)10(8)13-4-2-11-3-5-13/h8-11H,2-7H2,1H3/t8-,9+,10?
InChIKeyPCRQJLWATGKLOR-ULKQDVFKSA-N
XLogP-0.55
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane?
The IUPAC name of (1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane (CID 91989728) is (1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane.
What is the SMILES notation for (1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane?
The canonical SMILES for (1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane is CN1C[C@@H]2C(N3CCNCC3)[C@@H]2C1.
What is the InChIKey of (1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane?
The InChIKey is PCRQJLWATGKLOR-ULKQDVFKSA-N. The full InChI is InChI=1S/C10H19N3/c1-12-6-8-9(7-12)10(8)13-4-2-11-3-5-13/h8-11H,2-7H2,1H3/t8-,9+,10?.
What are the key properties of (1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane?
(1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane has a molecular weight of 181.28 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,5R)-3-methyl-6-piperazin-1-yl-3-azabicyclo[3.1.0]hexane is sourced from PubChem (CID 91989728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).