(3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine

C10H20N2O2 — CID 163976215

IUPAC(3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine
SMILESC=CC(C)[C@H]1NC(OC)CNC1OC
InChIInChI=1S/C10H20N2O2/c1-5-7(2)9-10(14-4)11-6-8(12-9)13-3/h5,7-12H,1,6H2,2-4H3/t7?,8?,9-,10?/m1/s1
InChIKeySUJSNMDLWQZVCQ-OWTMBLHMSA-N
MW200.28 g/mol
LogP0.31
Rot. Bonds4

About (3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine

(3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine (PubChem CID 163976215) has the molecular formula C10H20N2O2 and a molecular weight of 200.28 g/mol. Its IUPAC name is (3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine.

Molecular Properties

Compound Name(3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine
PubChem CID163976215
Molecular FormulaC10H20N2O2
Molecular Weight200.28 g/mol
Exact Mass200.15
IUPAC Name(3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine
SMILESC=CC(C)[C@H]1NC(OC)CNC1OC
InChIInChI=1S/C10H20N2O2/c1-5-7(2)9-10(14-4)11-6-8(12-9)13-3/h5,7-12H,1,6H2,2-4H3/t7?,8?,9-,10?/m1/s1
InChIKeySUJSNMDLWQZVCQ-OWTMBLHMSA-N
XLogP0.31
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.28
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methyl-N-(2-morpholin-4-ylethyl)hex-5-en-3-amine
CID 4712397
N-(1-morpholin-4-ylpropan-2-yl)pent-4-en-1-amine
CID 64313974
1-methoxy-3-methyl-N-pent-4-enylbutan-2-amine
CID 65049227
3-methyl-N-(3-morpholin-4-ylbutan-2-yl)hex-5-en-2-amine
CID 75383157
N,4-dimethyl-4-morpholin-4-ylpent-1-en-3-amine
CID 79050602
N-ethyl-4-methyl-4-morpholin-4-ylpent-1-en-3-amine
CID 79050612
2-methyl-2-morpholin-4-yl-N-propylhex-5-en-3-amine
CID 79050620
4-methyl-4-morpholin-4-yl-N-propylpent-1-en-3-amine
CID 79051780
N,2-dimethyl-2-morpholin-4-ylhex-5-en-3-amine
CID 79052081
N-ethyl-2-methyl-2-morpholin-4-ylhex-5-en-3-amine
CID 79052089
(2S,3S)-3-methyl-N-[(2S,3R)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine
CID 97231651
(2S,3S)-3-methyl-N-[(2R,3S)-3-morpholin-4-ylbutan-2-yl]hex-5-en-2-amine
CID 98851102

Frequently Asked Questions

What is the IUPAC name of (3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine?
The IUPAC name of (3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine (CID 163976215) is (3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine.
What is the SMILES notation for (3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine?
The canonical SMILES for (3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine is C=CC(C)[C@H]1NC(OC)CNC1OC.
What is the InChIKey of (3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine?
The InChIKey is SUJSNMDLWQZVCQ-OWTMBLHMSA-N. The full InChI is InChI=1S/C10H20N2O2/c1-5-7(2)9-10(14-4)11-6-8(12-9)13-3/h5,7-12H,1,6H2,2-4H3/t7?,8?,9-,10?/m1/s1.
What are the key properties of (3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine?
(3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine has a molecular weight of 200.28 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-but-3-en-2-yl-2,5-dimethoxypiperazine is sourced from PubChem (CID 163976215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).