3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol

C25H29N3O — CID 90656671

IUPAC3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol
SMILESOc1cccc(N(CCCN2CCN(c3ccccc3)CC2)c2ccccc2)c1
InChIInChI=1S/C25H29N3O/c29-25-14-7-13-24(21-25)28(23-11-5-2-6-12-23)16-8-15-26-17-19-27(20-18-26)22-9-3-1-4-10-22/h1-7,9-14,21,29H,8,15-20H2
InChIKeySZJGQQANLXMGJX-UHFFFAOYSA-N
MW387.53 g/mol
LogP4.74
Rot. Bonds7

About 3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol

3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol (PubChem CID 90656671) has the molecular formula C25H29N3O and a molecular weight of 387.53 g/mol. Its IUPAC name is 3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol.

Molecular Properties

Compound Name3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol
PubChem CID90656671
Molecular FormulaC25H29N3O
Molecular Weight387.53 g/mol
Exact Mass387.23
IUPAC Name3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol
SMILESOc1cccc(N(CCCN2CCN(c3ccccc3)CC2)c2ccccc2)c1
InChIInChI=1S/C25H29N3O/c29-25-14-7-13-24(21-25)28(23-11-5-2-6-12-23)16-8-15-26-17-19-27(20-18-26)22-9-3-1-4-10-22/h1-7,9-14,21,29H,8,15-20H2
InChIKeySZJGQQANLXMGJX-UHFFFAOYSA-N
XLogP4.74
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.53
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[benzyl-[3-(4-phenylpiperazin-1-yl)propyl]amino]phenol
CID 90656670
N-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 90656672
3-[4-(2-fluoroethyl)piperazin-1-yl]phenol
CID 11206864
4-(3-hydroxyphenyl)-N-[3-(4-phenylpiperazin-1-yl)propyl]piperazine-1-carboxamide
CID 112837389
1-[4-(N-phenylanilino)butyl]piperidin-4-ol
CID 59372998
N-phenyl-N-(2-piperidin-1-ylethyl)aniline
CID 3064300
4-[4-(6-phenylhexyl)piperazin-1-yl]phenol
CID 69479444
1-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidin-2-one;hydrochloride
CID 19102619
N-amino-N-[2-(4-phenylpiperazin-1-yl)ethyl]formamide
CID 54091291
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(trifluoromethyl)-N-[3-(trifluoromethyl)phenyl]aniline;dihydrochloride
CID 131882712
3-[4-(2-hydroxy-2-phenylethyl)piperazin-1-yl]phenol
CID 110880205
but-2-enedioic acid;N-phenyl-N-[3-(4-quinoxalin-2-ylpiperazin-1-yl)propyl]aniline
CID 70532040

Frequently Asked Questions

What is the IUPAC name of 3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol?
The IUPAC name of 3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol (CID 90656671) is 3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol.
What is the SMILES notation for 3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol?
The canonical SMILES for 3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol is Oc1cccc(N(CCCN2CCN(c3ccccc3)CC2)c2ccccc2)c1.
What is the InChIKey of 3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol?
The InChIKey is SZJGQQANLXMGJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O/c29-25-14-7-13-24(21-25)28(23-11-5-2-6-12-23)16-8-15-26-17-19-27(20-18-26)22-9-3-1-4-10-22/h1-7,9-14,21,29H,8,15-20H2.
What are the key properties of 3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol?
3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol has a molecular weight of 387.53 g/mol, XLogP of 4.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[N-[3-(4-phenylpiperazin-1-yl)propyl]anilino]phenol is sourced from PubChem (CID 90656671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).