1-(3-piperidin-3-ylprop-2-ynyl)piperazine

C12H21N3 — CID 117269532

IUPAC1-(3-piperidin-3-ylprop-2-ynyl)piperazine
SMILESC(#CC1CCCNC1)CN1CCNCC1
InChIInChI=1S/C12H21N3/c1-3-12(11-14-5-1)4-2-8-15-9-6-13-7-10-15/h12-14H,1,3,5-11H2
InChIKeyAUTSNGHJJIBNHF-UHFFFAOYSA-N
MW207.32 g/mol
LogP-0.11
Rot. Bonds1

About 1-(3-piperidin-3-ylprop-2-ynyl)piperazine

1-(3-piperidin-3-ylprop-2-ynyl)piperazine (PubChem CID 117269532) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 1-(3-piperidin-3-ylprop-2-ynyl)piperazine.

Molecular Properties

Compound Name1-(3-piperidin-3-ylprop-2-ynyl)piperazine
PubChem CID117269532
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name1-(3-piperidin-3-ylprop-2-ynyl)piperazine
SMILESC(#CC1CCCNC1)CN1CCNCC1
InChIInChI=1S/C12H21N3/c1-3-12(11-14-5-1)4-2-8-15-9-6-13-7-10-15/h12-14H,1,3,5-11H2
InChIKeyAUTSNGHJJIBNHF-UHFFFAOYSA-N
XLogP-0.11
TPSA27.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(3-piperidin-2-ylprop-2-ynyl)piperazine
CID 117269546
4-(3-piperidin-3-ylprop-2-ynyl)aniline
CID 54247628
1-(4-methoxybut-2-ynyl)piperazine
CID 117269600
3-piperidin-3-ylprop-2-ynal
CID 117265475
3-pyrrolidin-3-ylprop-2-yn-1-amine
CID 117265022
1-(5,5-dimethylhex-2-ynyl)piperazine
CID 117269584
3-(3-methylbut-1-ynyl)piperidine
CID 118967292
(3R)-3-ethynylpiperidine
CID 86307646
1-methyl-4-(4-piperazin-1-ylbut-2-ynyl)piperazine
CID 117269597
piperidine-3-carbonitrile;hydrochloride
CID 53400639
3-(2-phenylethynyl)piperidine
CID 71302817
1-(pyrrolidin-2-ylmethyl)piperazine
CID 53406264

Frequently Asked Questions

What is the IUPAC name of 1-(3-piperidin-3-ylprop-2-ynyl)piperazine?
The IUPAC name of 1-(3-piperidin-3-ylprop-2-ynyl)piperazine (CID 117269532) is 1-(3-piperidin-3-ylprop-2-ynyl)piperazine.
What is the SMILES notation for 1-(3-piperidin-3-ylprop-2-ynyl)piperazine?
The canonical SMILES for 1-(3-piperidin-3-ylprop-2-ynyl)piperazine is C(#CC1CCCNC1)CN1CCNCC1.
What is the InChIKey of 1-(3-piperidin-3-ylprop-2-ynyl)piperazine?
The InChIKey is AUTSNGHJJIBNHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-3-12(11-14-5-1)4-2-8-15-9-6-13-7-10-15/h12-14H,1,3,5-11H2.
What are the key properties of 1-(3-piperidin-3-ylprop-2-ynyl)piperazine?
1-(3-piperidin-3-ylprop-2-ynyl)piperazine has a molecular weight of 207.32 g/mol, XLogP of -0.11, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-piperidin-3-ylprop-2-ynyl)piperazine is sourced from PubChem (CID 117269532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).