1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine

C17H27N3 — CID 784302

IUPAC1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine
SMILESCCN1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H27N3/c1-2-18-10-8-17(9-11-18)20-14-12-19(13-15-20)16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3
InChIKeySBIWWDIYWIFBIO-UHFFFAOYSA-N
MW273.42 g/mol
LogP2.29
Rot. Bonds3

About 1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine

1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine (PubChem CID 784302) has the molecular formula C17H27N3 and a molecular weight of 273.42 g/mol. Its IUPAC name is 1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine
PubChem CID784302
Molecular FormulaC17H27N3
Molecular Weight273.42 g/mol
Exact Mass273.22
IUPAC Name1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine
SMILESCCN1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C17H27N3/c1-2-18-10-8-17(9-11-18)20-14-12-19(13-15-20)16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3
InChIKeySBIWWDIYWIFBIO-UHFFFAOYSA-N
XLogP2.29
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.42
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine?
The IUPAC name of 1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine (CID 784302) is 1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine.
What is the SMILES notation for 1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine?
The canonical SMILES for 1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine is CCN1CCC(N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine?
The InChIKey is SBIWWDIYWIFBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3/c1-2-18-10-8-17(9-11-18)20-14-12-19(13-15-20)16-6-4-3-5-7-16/h3-7,17H,2,8-15H2,1H3.
What are the key properties of 1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine?
1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine has a molecular weight of 273.42 g/mol, XLogP of 2.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylpiperidin-4-yl)-4-phenylpiperazine is sourced from PubChem (CID 784302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).