1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine

C24H33N3 — CID 171355756

IUPAC1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine
SMILESCN1CCC(CCN2CCN(c3ccccc3)CC2)CC1c1ccccc1
InChIInChI=1S/C24H33N3/c1-25-14-12-21(20-24(25)22-8-4-2-5-9-22)13-15-26-16-18-27(19-17-26)23-10-6-3-7-11-23/h2-11,21,24H,12-20H2,1H3
InChIKeyXMMGSSDPMICNSD-UHFFFAOYSA-N
MW363.55 g/mol
LogP4.28
Rot. Bonds5

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

1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine (PubChem CID 171355756) has the molecular formula C24H33N3 and a molecular weight of 363.55 g/mol. Its IUPAC name is 1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine.

Molecular Properties

Compound Name1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine
PubChem CID171355756
Molecular FormulaC24H33N3
Molecular Weight363.55 g/mol
Exact Mass363.27
IUPAC Name1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine
SMILESCN1CCC(CCN2CCN(c3ccccc3)CC2)CC1c1ccccc1
InChIInChI=1S/C24H33N3/c1-25-14-12-21(20-24(25)22-8-4-2-5-9-22)13-15-26-16-18-27(19-17-26)23-10-6-3-7-11-23/h2-11,21,24H,12-20H2,1H3
InChIKeyXMMGSSDPMICNSD-UHFFFAOYSA-N
XLogP4.28
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.55
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexan-1-amine
CID 10684726
1-[2-(1-phenylpiperidin-4-yl)ethyl]piperazine
CID 171069708
1-methyl-2-phenylazetidine
CID 576373
1-phenyl-4-[2-[4-(2-pyrazol-1-ylethyl)piperidin-1-yl]ethyl]piperazine
CID 91831285
1-phenyl-4-[2-(4-phenylpiperazin-1-yl)ethyl]-2,4-dihydro-1H-isoquinoline-3-thione
CID 21389701
1-[2-(1-methylpiperidin-4-yl)ethyl]-4-pyridin-4-ylpiperazine
CID 143388333
butane;1-[(1-methylpiperidin-4-yl)methyl]-4-phenylpiperazine
CID 171069804
(1R,6S)-9-methyl-3-[2-(4-phenylpiperazin-1-yl)ethyl]-3,9-diazabicyclo[4.2.1]nonane
CID 91839382
1-phenyl-4-(2-piperidin-2-ylethyl)piperazine
CID 43149880
(5S)-3-methyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]oxolan-2-one
CID 122688809
1-(2-cyclohexylethyl)-4-(3-methylphenyl)piperazine
CID 173113720
3-[4-[2-(4-phenylpiperazin-1-yl)ethyl]cyclohexyl]-1H-indole
CID 10667957

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine?
The IUPAC name of 1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine (CID 171355756) is 1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine.
What is the SMILES notation for 1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine?
The canonical SMILES for 1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine is CN1CCC(CCN2CCN(c3ccccc3)CC2)CC1c1ccccc1.
What is the InChIKey of 1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine?
The InChIKey is XMMGSSDPMICNSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3/c1-25-14-12-21(20-24(25)22-8-4-2-5-9-22)13-15-26-16-18-27(19-17-26)23-10-6-3-7-11-23/h2-11,21,24H,12-20H2,1H3.
What are the key properties of 1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine?
1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine has a molecular weight of 363.55 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methyl-2-phenylpiperidin-4-yl)ethyl]-4-phenylpiperazine is sourced from PubChem (CID 171355756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).