1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine

C19H31N3 — CID 937246

IUPAC1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
SMILESCCc1ccc(CN2CCC(N3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C19H31N3/c1-3-17-4-6-18(7-5-17)16-21-10-8-19(9-11-21)22-14-12-20(2)13-15-22/h4-7,19H,3,8-16H2,1-2H3
InChIKeyDGQOMPMNCSYRNS-UHFFFAOYSA-N
MW301.48 g/mol
LogP2.46
Rot. Bonds4

About 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine

1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine (PubChem CID 937246) has the molecular formula C19H31N3 and a molecular weight of 301.48 g/mol. Its IUPAC name is 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
PubChem CID937246
Molecular FormulaC19H31N3
Molecular Weight301.48 g/mol
Exact Mass301.25
IUPAC Name1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine
SMILESCCc1ccc(CN2CCC(N3CCN(C)CC3)CC2)cc1
InChIInChI=1S/C19H31N3/c1-3-17-4-6-18(7-5-17)16-21-10-8-19(9-11-21)22-14-12-20(2)13-15-22/h4-7,19H,3,8-16H2,1-2H3
InChIKeyDGQOMPMNCSYRNS-UHFFFAOYSA-N
XLogP2.46
TPSA9.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.48
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-ethylphenyl)methyl]-4-methylpiperazine
CID 785815
4-[[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methyl]benzohydrazide
CID 143419597
1-[(4-ethylphenyl)methyl]-4-(3-methylpiperidin-1-yl)piperidine
CID 2910705
4-bromo-1-[(4-ethylphenyl)methyl]piperidine
CID 80679591
bis(1-[(4-ethylphenyl)methyl]-4-(4-methylcyclohexyl)piperazine);oxalic acid
CID 134264054
1-[1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 77085193
1-[(3R)-1-[(5-ethyl-2-pyridinyl)methyl]pyrrolidin-3-yl]-4-methylpiperazine
CID 99931796
1-[(4-ethylphenyl)methyl]-4-[(1R,3S)-3-methylcyclohexyl]piperazine
CID 1341022
1-(1-benzylpiperidin-4-yl)-4-butylpiperazine
CID 68897580
1-[[4-[[4-(3-butan-2-ylpyrrolidin-1-yl)piperidin-1-yl]methyl]phenyl]methyl]-4-methyl-1,4-diazepane
CID 123344202
2-[4-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]piperazin-1-yl]ethanol
CID 754265
(3S)-1-[2-(4-ethylphenyl)ethyl]-3-(4-methylpiperazin-1-yl)azepane
CID 97059249

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine?
The IUPAC name of 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine (CID 937246) is 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine.
What is the SMILES notation for 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine?
The canonical SMILES for 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine is CCc1ccc(CN2CCC(N3CCN(C)CC3)CC2)cc1.
What is the InChIKey of 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine?
The InChIKey is DGQOMPMNCSYRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N3/c1-3-17-4-6-18(7-5-17)16-21-10-8-19(9-11-21)22-14-12-20(2)13-15-22/h4-7,19H,3,8-16H2,1-2H3.
What are the key properties of 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine?
1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine has a molecular weight of 301.48 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]-4-methylpiperazine is sourced from PubChem (CID 937246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).