4-piperidin-1-yl-1-prop-2-ynylpiperidine

C13H22N2 — CID 51086786

IUPAC4-piperidin-1-yl-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H22N2/c1-2-8-14-11-6-13(7-12-14)15-9-4-3-5-10-15/h1,13H,3-12H2
InChIKeyDLCBVAMDAICYND-UHFFFAOYSA-N
MW206.33 g/mol
LogP1.57
Rot. Bonds2

About 4-piperidin-1-yl-1-prop-2-ynylpiperidine

4-piperidin-1-yl-1-prop-2-ynylpiperidine (PubChem CID 51086786) has the molecular formula C13H22N2 and a molecular weight of 206.33 g/mol. Its IUPAC name is 4-piperidin-1-yl-1-prop-2-ynylpiperidine.

Molecular Properties

Compound Name4-piperidin-1-yl-1-prop-2-ynylpiperidine
PubChem CID51086786
Molecular FormulaC13H22N2
Molecular Weight206.33 g/mol
Exact Mass206.18
IUPAC Name4-piperidin-1-yl-1-prop-2-ynylpiperidine
SMILESC#CCN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C13H22N2/c1-2-8-14-11-6-13(7-12-14)15-9-4-3-5-10-15/h1,13H,3-12H2
InChIKeyDLCBVAMDAICYND-UHFFFAOYSA-N
XLogP1.57
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1,4,7-tris(prop-2-ynyl)-1,4,7-triazonane
CID 90277190
1-cyclopropylpiperidine
CID 10909573
1-prop-2-ynylpiperidin-4-ol;hydrochloride
CID 146626948
4-piperidin-1-yl-1-prop-2-enylpiperidine
CID 51086783
1-cyclohexylazocane
CID 23151203
1-cyclooctylpyrrolidine
CID 23277874
1-cyclooctylpiperidine
CID 89210756
2-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)butan-2-amine
CID 64679336
4-ethyl-1-prop-2-ynylpiperidine
CID 60965394
1-[1-(2-chloroethyl)pyrrolidin-3-yl]piperidine
CID 63171000
1-methanidyl-4-piperidin-1-ylpiperidine
CID 20723188
5-(4-piperidin-1-ylpiperidin-1-yl)pentanenitrile
CID 54966168

Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-1-prop-2-ynylpiperidine?
The IUPAC name of 4-piperidin-1-yl-1-prop-2-ynylpiperidine (CID 51086786) is 4-piperidin-1-yl-1-prop-2-ynylpiperidine.
What is the SMILES notation for 4-piperidin-1-yl-1-prop-2-ynylpiperidine?
The canonical SMILES for 4-piperidin-1-yl-1-prop-2-ynylpiperidine is C#CCN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-piperidin-1-yl-1-prop-2-ynylpiperidine?
The InChIKey is DLCBVAMDAICYND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2/c1-2-8-14-11-6-13(7-12-14)15-9-4-3-5-10-15/h1,13H,3-12H2.
What are the key properties of 4-piperidin-1-yl-1-prop-2-ynylpiperidine?
4-piperidin-1-yl-1-prop-2-ynylpiperidine has a molecular weight of 206.33 g/mol, XLogP of 1.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-1-prop-2-ynylpiperidine is sourced from PubChem (CID 51086786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).