(2S)-2-methyl-1-pent-3-ynylpiperazine

C10H18N2 — CID 104809127

IUPAC(2S)-2-methyl-1-pent-3-ynylpiperazine
SMILESCC#CCCN1CCNC[C@@H]1C
InChIInChI=1S/C10H18N2/c1-3-4-5-7-12-8-6-11-9-10(12)2/h10-11H,5-9H2,1-2H3/t10-/m0/s1
InChIKeyMJVQJXDNCRIDKO-JTQLQIEISA-N
MW166.27 g/mol
LogP0.69
Rot. Bonds2

About (2S)-2-methyl-1-pent-3-ynylpiperazine

(2S)-2-methyl-1-pent-3-ynylpiperazine (PubChem CID 104809127) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (2S)-2-methyl-1-pent-3-ynylpiperazine.

Molecular Properties

Compound Name(2S)-2-methyl-1-pent-3-ynylpiperazine
PubChem CID104809127
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(2S)-2-methyl-1-pent-3-ynylpiperazine
SMILESCC#CCCN1CCNC[C@@H]1C
InChIInChI=1S/C10H18N2/c1-3-4-5-7-12-8-6-11-9-10(12)2/h10-11H,5-9H2,1-2H3/t10-/m0/s1
InChIKeyMJVQJXDNCRIDKO-JTQLQIEISA-N
XLogP0.69
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methyl-1-pent-3-ynylpiperazine?
The IUPAC name of (2S)-2-methyl-1-pent-3-ynylpiperazine (CID 104809127) is (2S)-2-methyl-1-pent-3-ynylpiperazine.
What is the SMILES notation for (2S)-2-methyl-1-pent-3-ynylpiperazine?
The canonical SMILES for (2S)-2-methyl-1-pent-3-ynylpiperazine is CC#CCCN1CCNC[C@@H]1C.
What is the InChIKey of (2S)-2-methyl-1-pent-3-ynylpiperazine?
The InChIKey is MJVQJXDNCRIDKO-JTQLQIEISA-N. The full InChI is InChI=1S/C10H18N2/c1-3-4-5-7-12-8-6-11-9-10(12)2/h10-11H,5-9H2,1-2H3/t10-/m0/s1.
What are the key properties of (2S)-2-methyl-1-pent-3-ynylpiperazine?
(2S)-2-methyl-1-pent-3-ynylpiperazine has a molecular weight of 166.27 g/mol, XLogP of 0.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methyl-1-pent-3-ynylpiperazine is sourced from PubChem (CID 104809127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).