1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine

C17H27N3 — CID 171069708

IUPAC1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine
SMILESc1ccc(N2CCC(CCN3CCNCC3)CC2)cc1
InChIInChI=1S/C17H27N3/c1-2-4-17(5-3-1)20-12-7-16(8-13-20)6-11-19-14-9-18-10-15-19/h1-5,16,18H,6-15H2
InChIKeyHGBBRIBTPGTEIZ-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.20
Rot. Bonds4

About 1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine

1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine (PubChem CID 171069708) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine.

Molecular Properties

Compound Name1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine
PubChem CID171069708
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine
SMILESc1ccc(N2CCC(CCN3CCNCC3)CC2)cc1
InChIInChI=1S/C17H27N3/c1-2-4-17(5-3-1)20-12-7-16(8-13-20)6-11-19-14-9-18-10-15-19/h1-5,16,18H,6-15H2
InChIKeyHGBBRIBTPGTEIZ-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine?
The IUPAC name of 1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine (CID 171069708) is 1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine.
What is the SMILES notation for 1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine?
The canonical SMILES for 1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine is c1ccc(N2CCC(CCN3CCNCC3)CC2)cc1.
What is the InChIKey of 1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine?
The InChIKey is HGBBRIBTPGTEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-4-17(5-3-1)20-12-7-16(8-13-20)6-11-19-14-9-18-10-15-19/h1-5,16,18H,6-15H2.
What are the key properties of 1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine?
1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine has a molecular weight of 273.42 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine is sourced from PubChem (CID 171069708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).