1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine

C15H21N3 — CID 54943739

IUPAC1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
SMILESC#CCN1CCC(NCCc2ccncc2)CC1
InChIInChI=1S/C15H21N3/c1-2-11-18-12-6-15(7-13-18)17-10-5-14-3-8-16-9-4-14/h1,3-4,8-9,15,17H,5-7,10-13H2
InChIKeyZISQMYUWFBWNEX-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.31
Rot. Bonds5

About 1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine

1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine (PubChem CID 54943739) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
PubChem CID54943739
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
SMILESC#CCN1CCC(NCCc2ccncc2)CC1
InChIInChI=1S/C15H21N3/c1-2-11-18-12-6-15(7-13-18)17-10-5-14-3-8-16-9-4-14/h1,3-4,8-9,15,17H,5-7,10-13H2
InChIKeyZISQMYUWFBWNEX-UHFFFAOYSA-N
XLogP1.31
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 60864534
1-cyclopropyl-N-(2-pyridin-4-ylethyl)pyrrolidin-3-amine
CID 55152270
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
N-(3-pyridin-4-ylpropyl)cyclopropanamine
CID 62549515
N-[(2-methoxy-4-pyridinyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 62990035
N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine
CID 55013087
1-prop-2-ynyl-N-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 62881993
N,1-bis(2-phenylethyl)piperidin-4-amine
CID 24785666
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 54860858
N-[2-(cyclopropylamino)ethyl]-3-pyridin-4-ylpropanamide
CID 81478902
N'-methyl-N'-phenyl-N-(1-prop-2-ynylpiperidin-4-yl)propane-1,3-diamine
CID 43759235
1-prop-2-ynyl-N-(quinolin-8-ylmethyl)piperidin-4-amine
CID 81333275

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine?
The IUPAC name of 1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine (CID 54943739) is 1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine.
What is the SMILES notation for 1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine?
The canonical SMILES for 1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine is C#CCN1CCC(NCCc2ccncc2)CC1.
What is the InChIKey of 1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine?
The InChIKey is ZISQMYUWFBWNEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-2-11-18-12-6-15(7-13-18)17-10-5-14-3-8-16-9-4-14/h1,3-4,8-9,15,17H,5-7,10-13H2.
What are the key properties of 1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine?
1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine has a molecular weight of 243.35 g/mol, XLogP of 1.31, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine is sourced from PubChem (CID 54943739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).