N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine

C22H31N3 — CID 10735696

IUPACN-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C22H31N3/c1-3-24(4-2)18-19-10-12-21(13-11-19)22(20-8-6-5-7-9-20)25-16-14-23-15-17-25/h5-13,22-23H,3-4,14-18H2,1-2H3
InChIKeyLKBPJFREZQNIIF-UHFFFAOYSA-N
MW337.51 g/mol
LogP3.52
Rot. Bonds7

About N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine

N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine (PubChem CID 10735696) has the molecular formula C22H31N3 and a molecular weight of 337.51 g/mol. Its IUPAC name is N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine
PubChem CID10735696
Molecular FormulaC22H31N3
Molecular Weight337.51 g/mol
Exact Mass337.25
IUPAC NameN-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine
SMILESCCN(CC)Cc1ccc(C(c2ccccc2)N2CCNCC2)cc1
InChIInChI=1S/C22H31N3/c1-3-24(4-2)18-19-10-12-21(13-11-19)22(20-8-6-5-7-9-20)25-16-14-23-15-17-25/h5-13,22-23H,3-4,14-18H2,1-2H3
InChIKeyLKBPJFREZQNIIF-UHFFFAOYSA-N
XLogP3.52
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.51
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The IUPAC name of N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine (CID 10735696) is N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine is CCN(CC)Cc1ccc(C(c2ccccc2)N2CCNCC2)cc1.
What is the InChIKey of N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine?
The InChIKey is LKBPJFREZQNIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3/c1-3-24(4-2)18-19-10-12-21(13-11-19)22(20-8-6-5-7-9-20)25-16-14-23-15-17-25/h5-13,22-23H,3-4,14-18H2,1-2H3.
What are the key properties of N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine?
N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine has a molecular weight of 337.51 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[[4-[phenyl(piperazin-1-yl)methyl]phenyl]methyl]ethanamine is sourced from PubChem (CID 10735696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).