(2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine

C17H34N4 — CID 139406621

IUPAC(2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine
SMILESC=C(CC(C)N1CCN(C)C[C@@H]1C)N1CCN(C)C[C@H]1C
InChIInChI=1S/C17H34N4/c1-14(20-9-7-18(5)12-16(20)3)11-15(2)21-10-8-19(6)13-17(21)4/h15-17H,1,7-13H2,2-6H3/t15?,16-,17+/m1/s1
InChIKeyKCVUZHBHHFLCDA-FGJGXXMFSA-N
MW294.49 g/mol
LogP1.55
Rot. Bonds4

About (2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine

(2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine (PubChem CID 139406621) has the molecular formula C17H34N4 and a molecular weight of 294.49 g/mol. Its IUPAC name is (2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine.

Molecular Properties

Compound Name(2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine
PubChem CID139406621
Molecular FormulaC17H34N4
Molecular Weight294.49 g/mol
Exact Mass294.28
IUPAC Name(2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine
SMILESC=C(CC(C)N1CCN(C)C[C@@H]1C)N1CCN(C)C[C@H]1C
InChIInChI=1S/C17H34N4/c1-14(20-9-7-18(5)12-16(20)3)11-15(2)21-10-8-19(6)13-17(21)4/h15-17H,1,7-13H2,2-6H3/t15?,16-,17+/m1/s1
InChIKeyKCVUZHBHHFLCDA-FGJGXXMFSA-N
XLogP1.55
TPSA12.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.49
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine with MolForge

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Related Compounds

1-Pent-1-en-2-yl-4-propan-2-ylpiperazine
CID 89670673
1,2-Dimethyl-4-pent-1-en-2-ylpiperazine
CID 129029243
2-Methylidene-1-(1-methylpiperidin-4-yl)piperidine
CID 142184382
Ethane;1-(1-methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine
CID 143020642
(3R)-3-N-ethyl-2-N-methyl-2-N-(1-methylpiperidin-4-yl)-3-N-propan-2-ylhex-1-ene-2,3-diamine
CID 143567809
ethane;(3R)-2-N,3-N,3-N-trimethyl-2-N-(1-methylpiperidin-4-yl)pent-1-ene-2,3-diamine
CID 143614348
1-(1-But-1-en-2-ylpiperidin-4-yl)-4-methylpiperazine
CID 156202694
Ethane;1-(5-methylhex-1-en-2-yl)-4-(1-methylpiperidin-4-yl)piperazine
CID 177134694
ethane;3-[4-[3-[ethyl(propan-2-yl)amino]propyl]piperazin-1-yl]-N-methyl-N-prop-1-en-2-ylpropan-1-amine
CID 177181586
1-Ethyl-1-[3-(1-ethylpiperidin-1-ium-1-yl)but-1-en-2-yl]piperidin-1-ium
CID 141627680
1-(1-Methylpiperidin-3-yl)-4-pent-1-en-2-ylpiperazine
CID 143020643
1-But-1-en-2-yl-2-methylidene-4-piperidin-1-ylpiperidine
CID 143498351

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine?
The IUPAC name of (2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine (CID 139406621) is (2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine.
What is the SMILES notation for (2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine?
The canonical SMILES for (2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine is C=C(CC(C)N1CCN(C)C[C@@H]1C)N1CCN(C)C[C@H]1C.
What is the InChIKey of (2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine?
The InChIKey is KCVUZHBHHFLCDA-FGJGXXMFSA-N. The full InChI is InChI=1S/C17H34N4/c1-14(20-9-7-18(5)12-16(20)3)11-15(2)21-10-8-19(6)13-17(21)4/h15-17H,1,7-13H2,2-6H3/t15?,16-,17+/m1/s1.
What are the key properties of (2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine?
(2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine has a molecular weight of 294.49 g/mol, XLogP of 1.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[4-[(2S)-2,4-dimethylpiperazin-1-yl]pent-1-en-2-yl]-2,4-dimethylpiperazine is sourced from PubChem (CID 139406621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).