1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine

C18H23N3 — CID 43188772

IUPAC1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H23N3/c1-15(19)16-7-9-18(10-8-16)21-13-11-20(12-14-21)17-5-3-2-4-6-17/h2-10,15H,11-14,19H2,1H3
InChIKeyHVGZELDDYHTPMQ-UHFFFAOYSA-N
MW281.40 g/mol
LogP3.03
Rot. Bonds3

About 1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine

1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine (PubChem CID 43188772) has the molecular formula C18H23N3 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine.

Molecular Properties

Compound Name1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
PubChem CID43188772
Molecular FormulaC18H23N3
Molecular Weight281.40 g/mol
Exact Mass281.19
IUPAC Name1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine
SMILESCC(N)c1ccc(N2CCN(c3ccccc3)CC2)cc1
InChIInChI=1S/C18H23N3/c1-15(19)16-7-9-18(10-8-16)21-13-11-20(12-14-21)17-5-3-2-4-6-17/h2-10,15H,11-14,19H2,1H3
InChIKeyHVGZELDDYHTPMQ-UHFFFAOYSA-N
XLogP3.03
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

1-[4-(azepan-1-yl)phenyl]ethanamine
CID 43188750
(1S)-1-[4-(4-methylpiperazin-1-yl)phenyl]ethanamine;dihydrochloride
CID 67403541
1-[4-(4-tert-butylpiperazin-1-yl)phenyl]ethanamine
CID 61432785
(1R)-1-[4-(3-phenylpyrrolidin-1-yl)phenyl]ethanamine
CID 78935368
1-phenyl-4-[4-[1-[4-[2-[4-(4-phenylpiperazin-1-yl)phenyl]ethyl]phenyl]ethyl]phenyl]piperazine
CID 70673095
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpiperidin-4-amine
CID 55189063
(1S)-1-[4-(4-tert-butylpiperidin-1-yl)phenyl]ethanamine
CID 63368975
4-[4-[(1S)-1-aminoethyl]phenyl]-1-methylpiperazin-2-one
CID 78997047
4-[4-(1-aminoethyl)phenyl]-1-methylpiperazin-2-one
CID 64693857
1-[4-[(1S)-1-aminoethyl]phenyl]-1,4-diazepan-5-one
CID 63369103
(2S)-3-methyl-1-(4-phenylpiperazin-1-yl)butan-2-amine
CID 22689467
ethane;(1R)-1-phenylethanamine
CID 142977390

Frequently Asked Questions

What is the IUPAC name of 1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine?
The IUPAC name of 1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine (CID 43188772) is 1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine.
What is the SMILES notation for 1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine?
The canonical SMILES for 1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine is CC(N)c1ccc(N2CCN(c3ccccc3)CC2)cc1.
What is the InChIKey of 1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine?
The InChIKey is HVGZELDDYHTPMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3/c1-15(19)16-7-9-18(10-8-16)21-13-11-20(12-14-21)17-5-3-2-4-6-17/h2-10,15H,11-14,19H2,1H3.
What are the key properties of 1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine?
1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine has a molecular weight of 281.40 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4-phenylpiperazin-1-yl)phenyl]ethanamine is sourced from PubChem (CID 43188772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).