(2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine

C14H28N2 — CID 126576933

IUPAC(2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine
SMILESC/C=C/CCN1C[C@@H](C)N(C(C)C)C[C@@H]1C
InChIInChI=1S/C14H28N2/c1-6-7-8-9-15-10-14(5)16(12(2)3)11-13(15)4/h6-7,12-14H,8-11H2,1-5H3/b7-6+/t13-,14+/m0/s1
InChIKeyCCYUBXPNUUFILE-HYLRALAJSA-N
MW224.39 g/mol
LogP2.76
Rot. Bonds4

About (2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine

(2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine (PubChem CID 126576933) has the molecular formula C14H28N2 and a molecular weight of 224.39 g/mol. Its IUPAC name is (2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name(2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine
PubChem CID126576933
Molecular FormulaC14H28N2
Molecular Weight224.39 g/mol
Exact Mass224.23
IUPAC Name(2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine
SMILESC/C=C/CCN1C[C@@H](C)N(C(C)C)C[C@@H]1C
InChIInChI=1S/C14H28N2/c1-6-7-8-9-15-10-14(5)16(12(2)3)11-13(15)4/h6-7,12-14H,8-11H2,1-5H3/b7-6+/t13-,14+/m0/s1
InChIKeyCCYUBXPNUUFILE-HYLRALAJSA-N
XLogP2.76
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.39
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine?
The IUPAC name of (2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine (CID 126576933) is (2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for (2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine?
The canonical SMILES for (2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine is C/C=C/CCN1C[C@@H](C)N(C(C)C)C[C@@H]1C.
What is the InChIKey of (2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine?
The InChIKey is CCYUBXPNUUFILE-HYLRALAJSA-N. The full InChI is InChI=1S/C14H28N2/c1-6-7-8-9-15-10-14(5)16(12(2)3)11-13(15)4/h6-7,12-14H,8-11H2,1-5H3/b7-6+/t13-,14+/m0/s1.
What are the key properties of (2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine?
(2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine has a molecular weight of 224.39 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-2,5-dimethyl-1-[(E)-pent-3-enyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 126576933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).