(3S)-3-propan-2-yl-1-prop-2-ynylpiperazine

C10H18N2 — CID 130735647

IUPAC(3S)-3-propan-2-yl-1-prop-2-ynylpiperazine
SMILESC#CCN1CCN[C@@H](C(C)C)C1
InChIInChI=1S/C10H18N2/c1-4-6-12-7-5-11-10(8-12)9(2)3/h1,9-11H,5-8H2,2-3H3/t10-/m1/s1
InChIKeyHNCNGAZBCBGRNY-SNVBAGLBSA-N
MW166.27 g/mol
LogP0.55
Rot. Bonds2

About (3S)-3-propan-2-yl-1-prop-2-ynylpiperazine

(3S)-3-propan-2-yl-1-prop-2-ynylpiperazine (PubChem CID 130735647) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is (3S)-3-propan-2-yl-1-prop-2-ynylpiperazine.

Molecular Properties

Compound Name(3S)-3-propan-2-yl-1-prop-2-ynylpiperazine
PubChem CID130735647
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name(3S)-3-propan-2-yl-1-prop-2-ynylpiperazine
SMILESC#CCN1CCN[C@@H](C(C)C)C1
InChIInChI=1S/C10H18N2/c1-4-6-12-7-5-11-10(8-12)9(2)3/h1,9-11H,5-8H2,2-3H3/t10-/m1/s1
InChIKeyHNCNGAZBCBGRNY-SNVBAGLBSA-N
XLogP0.55
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 ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-methyl-1-prop-2-ynylpiperazine
CID 64926095
1-(2,2-dimethylpropyl)-3-propan-2-ylpiperazine
CID 64925311
1-[(3S)-3-propan-2-ylpiperazin-1-yl]propan-2-amine
CID 130676072
1-(7-methyloctyl)-3-propan-2-ylpiperazine
CID 107818463
(3S)-1-ethyl-3-propan-2-yl-1,4-diazepane
CID 94982687
1-ethyl-3-propan-2-yl-1,4-diazepane
CID 64857058
1-(2-methoxy-2-methylpropyl)-3-propan-2-ylpiperazine
CID 104766328
1-(2-cyclohexylethyl)-3-propan-2-ylpiperazine
CID 64925108
1-(3-chloro-2-methylprop-2-enyl)-3-propan-2-ylpiperazine
CID 106440306
2-methyl-5-propan-2-yl-1-prop-2-ynylpiperazine
CID 64937731
2,5-di(propan-2-yl)-1-prop-2-ynylpiperazine
CID 64937920
1-[(4-chlorophenyl)methyl]-3-propan-2-ylpiperazine
CID 64833210

Frequently Asked Questions

What is the IUPAC name of (3S)-3-propan-2-yl-1-prop-2-ynylpiperazine?
The IUPAC name of (3S)-3-propan-2-yl-1-prop-2-ynylpiperazine (CID 130735647) is (3S)-3-propan-2-yl-1-prop-2-ynylpiperazine.
What is the SMILES notation for (3S)-3-propan-2-yl-1-prop-2-ynylpiperazine?
The canonical SMILES for (3S)-3-propan-2-yl-1-prop-2-ynylpiperazine is C#CCN1CCN[C@@H](C(C)C)C1.
What is the InChIKey of (3S)-3-propan-2-yl-1-prop-2-ynylpiperazine?
The InChIKey is HNCNGAZBCBGRNY-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H18N2/c1-4-6-12-7-5-11-10(8-12)9(2)3/h1,9-11H,5-8H2,2-3H3/t10-/m1/s1.
What are the key properties of (3S)-3-propan-2-yl-1-prop-2-ynylpiperazine?
(3S)-3-propan-2-yl-1-prop-2-ynylpiperazine has a molecular weight of 166.27 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-propan-2-yl-1-prop-2-ynylpiperazine is sourced from PubChem (CID 130735647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).