1-phenyl-4-(2-piperidin-2-ylethyl)piperazine

C17H27N3 — CID 43149880

IUPAC1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
SMILESc1ccc(N2CCN(CCC3CCCCN3)CC2)cc1
InChIInChI=1S/C17H27N3/c1-2-7-17(8-3-1)20-14-12-19(13-15-20)11-9-16-6-4-5-10-18-16/h1-3,7-8,16,18H,4-6,9-15H2
InChIKeyUFUDUYNZQCNTJY-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.34
Rot. Bonds4

About 1-phenyl-4-(2-piperidin-2-ylethyl)piperazine

1-phenyl-4-(2-piperidin-2-ylethyl)piperazine (PubChem CID 43149880) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-phenyl-4-(2-piperidin-2-ylethyl)piperazine.

Molecular Properties

Compound Name1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
PubChem CID43149880
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
SMILESc1ccc(N2CCN(CCC3CCCCN3)CC2)cc1
InChIInChI=1S/C17H27N3/c1-2-7-17(8-3-1)20-14-12-19(13-15-20)11-9-16-6-4-5-10-18-16/h1-3,7-8,16,18H,4-6,9-15H2
InChIKeyUFUDUYNZQCNTJY-UHFFFAOYSA-N
XLogP2.34
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-pyrrolidin-2-ylethyl)piperazin-1-yl]-1H-indazole
CID 77421538
1-ethyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149889
2-[[4-(4-fluorophenyl)piperazin-1-yl]methyl]azepane
CID 64569761
2-(2-piperidin-2-ylethyl)-3,4-dihydro-1H-isoquinoline;dihydrochloride
CID 53408872
1-(3-methylphenyl)-4-(3-pyrrolidin-2-ylpropyl)piperazine
CID 62479760
1-phenyl-N-[[(2S)-pyrrolidin-2-yl]methyl]piperidin-4-amine
CID 121498693
4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine
CID 171069708
3-benzyl-1-phenyl-1,4-diazepane
CID 64943308
3-phenyl-1-(2-piperidin-2-ylethyl)-2λ6,1,3-benzothiadiazole 2,2-dioxide
CID 24937509
3-benzyl-1-(2-cyclopentylethyl)-1,4-diazepane
CID 64945183
1-(2-methylpropyl)-4-(2-piperidin-2-ylethyl)piperazine
CID 62777599

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-4-(2-piperidin-2-ylethyl)piperazine?
The IUPAC name of 1-phenyl-4-(2-piperidin-2-ylethyl)piperazine (CID 43149880) is 1-phenyl-4-(2-piperidin-2-ylethyl)piperazine.
What is the SMILES notation for 1-phenyl-4-(2-piperidin-2-ylethyl)piperazine?
The canonical SMILES for 1-phenyl-4-(2-piperidin-2-ylethyl)piperazine is c1ccc(N2CCN(CCC3CCCCN3)CC2)cc1.
What is the InChIKey of 1-phenyl-4-(2-piperidin-2-ylethyl)piperazine?
The InChIKey is UFUDUYNZQCNTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-7-17(8-3-1)20-14-12-19(13-15-20)11-9-16-6-4-5-10-18-16/h1-3,7-8,16,18H,4-6,9-15H2.
What are the key properties of 1-phenyl-4-(2-piperidin-2-ylethyl)piperazine?
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine has a molecular weight of 273.42 g/mol, XLogP of 2.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-4-(2-piperidin-2-ylethyl)piperazine is sourced from PubChem (CID 43149880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).