1-[2-(2-phenylethyl)-3-pyridinyl]piperazine

C17H21N3 — CID 173128049

IUPAC1-[2-(2-phenylethyl)-3-pyridinyl]piperazine
SMILESc1ccc(CCc2ncccc2N2CCNCC2)cc1
InChIInChI=1S/C17H21N3/c1-2-5-15(6-3-1)8-9-16-17(7-4-10-19-16)20-13-11-18-12-14-20/h1-7,10,18H,8-9,11-14H2
InChIKeyGFWFUDWBJNDCQD-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.28
Rot. Bonds4

About 1-[2-(2-phenylethyl)-3-pyridinyl]piperazine

1-[2-(2-phenylethyl)-3-pyridinyl]piperazine (PubChem CID 173128049) has the molecular formula C17H21N3 and a molecular weight of 267.38 g/mol. Its IUPAC name is 1-[2-(2-phenylethyl)-3-pyridinyl]piperazine.

Molecular Properties

Compound Name1-[2-(2-phenylethyl)-3-pyridinyl]piperazine
PubChem CID173128049
Molecular FormulaC17H21N3
Molecular Weight267.38 g/mol
Exact Mass267.17
IUPAC Name1-[2-(2-phenylethyl)-3-pyridinyl]piperazine
SMILESc1ccc(CCc2ncccc2N2CCNCC2)cc1
InChIInChI=1S/C17H21N3/c1-2-5-15(6-3-1)8-9-16-17(7-4-10-19-16)20-13-11-18-12-14-20/h1-7,10,18H,8-9,11-14H2
InChIKeyGFWFUDWBJNDCQD-UHFFFAOYSA-N
XLogP2.28
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methyl-3-pyridinyl)piperazine;dihydrochloride
CID 70057644
1-(2-piperazin-1-ylphenyl)piperazine;hydrobromide
CID 118703673
1-[2-[(3-chlorophenoxy)methyl]-3-pyridinyl]piperazine
CID 72549708
2-[(2-piperazin-1-ylphenoxy)methyl]pyrimidine
CID 62700527
5-piperazin-1-ylquinoline
CID 10656226
4-piperazin-1-yl-1,5-naphthyridine
CID 57013367
1-[3-(phenoxymethyl)-2-pyridinyl]piperazine
CID 72550146
5-benzyl-2-piperazin-1-ylpyrimidine;hydron;chloride
CID 118022265
1-[3-(1-benzylpiperidin-2-yl)-2-pyridinyl]piperazine
CID 102541676
6-(2-phenylethyl)-4-piperazin-1-yl-1,3-dihydrobenzimidazol-2-one
CID 87757220
N-(1-hydroxy-3-phenylpropyl)-2-piperazin-1-ylpyridine-3-carboxamide
CID 70031352
1-[2-(pyridin-4-ylmethoxy)phenyl]piperazine;dihydrochloride
CID 67387967

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-phenylethyl)-3-pyridinyl]piperazine?
The IUPAC name of 1-[2-(2-phenylethyl)-3-pyridinyl]piperazine (CID 173128049) is 1-[2-(2-phenylethyl)-3-pyridinyl]piperazine.
What is the SMILES notation for 1-[2-(2-phenylethyl)-3-pyridinyl]piperazine?
The canonical SMILES for 1-[2-(2-phenylethyl)-3-pyridinyl]piperazine is c1ccc(CCc2ncccc2N2CCNCC2)cc1.
What is the InChIKey of 1-[2-(2-phenylethyl)-3-pyridinyl]piperazine?
The InChIKey is GFWFUDWBJNDCQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3/c1-2-5-15(6-3-1)8-9-16-17(7-4-10-19-16)20-13-11-18-12-14-20/h1-7,10,18H,8-9,11-14H2.
What are the key properties of 1-[2-(2-phenylethyl)-3-pyridinyl]piperazine?
1-[2-(2-phenylethyl)-3-pyridinyl]piperazine has a molecular weight of 267.38 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-phenylethyl)-3-pyridinyl]piperazine is sourced from PubChem (CID 173128049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).