1-(1-methylpiperidin-4-yl)-4-phenylpiperazine

C16H25N3 — CID 783818

IUPAC1-(1-methylpiperidin-4-yl)-4-phenylpiperazine
SMILESCN1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C16H25N3/c1-17-9-7-16(8-10-17)19-13-11-18(12-14-19)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyRPGOORCKNRWNAK-UHFFFAOYSA-N
MW259.40 g/mol
LogP1.90
Rot. Bonds2

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

1-(1-methylpiperidin-4-yl)-4-phenylpiperazine (PubChem CID 783818) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-4-phenylpiperazine.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-4-phenylpiperazine
PubChem CID783818
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(1-methylpiperidin-4-yl)-4-phenylpiperazine
SMILESCN1CCC(N2CCN(c3ccccc3)CC2)CC1
InChIInChI=1S/C16H25N3/c1-17-9-7-16(8-10-17)19-13-11-18(12-14-19)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3
InChIKeyRPGOORCKNRWNAK-UHFFFAOYSA-N
XLogP1.90
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-4-phenylpiperazine?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-4-phenylpiperazine (CID 783818) is 1-(1-methylpiperidin-4-yl)-4-phenylpiperazine.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-4-phenylpiperazine?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-4-phenylpiperazine is CN1CCC(N2CCN(c3ccccc3)CC2)CC1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-4-phenylpiperazine?
The InChIKey is RPGOORCKNRWNAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-17-9-7-16(8-10-17)19-13-11-18(12-14-19)15-5-3-2-4-6-15/h2-6,16H,7-14H2,1H3.
What are the key properties of 1-(1-methylpiperidin-4-yl)-4-phenylpiperazine?
1-(1-methylpiperidin-4-yl)-4-phenylpiperazine has a molecular weight of 259.40 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-4-phenylpiperazine is sourced from PubChem (CID 783818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).