3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole

C28H30FN3 — CID 7038412

IUPAC3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
SMILESFc1ccc([C@@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C28H30FN3/c29-25-14-12-23(13-15-25)28(22-7-2-1-3-8-22)32-19-17-31(18-20-32)16-6-9-24-21-30-27-11-5-4-10-26(24)27/h1-5,7-8,10-15,21,28,30H,6,9,16-20H2/t28-/m1/s1
InChIKeyPTXQKQPOIKEGBV-MUUNZHRXSA-N
MW427.57 g/mol
LogP5.65
Rot. Bonds7

About 3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole

3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole (PubChem CID 7038412) has the molecular formula C28H30FN3 and a molecular weight of 427.57 g/mol. Its IUPAC name is 3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole.

Molecular Properties

Compound Name3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
PubChem CID7038412
Molecular FormulaC28H30FN3
Molecular Weight427.57 g/mol
Exact Mass427.24
IUPAC Name3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
SMILESFc1ccc([C@@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1
InChIInChI=1S/C28H30FN3/c29-25-14-12-23(13-15-25)28(22-7-2-1-3-8-22)32-19-17-31(18-20-32)16-6-9-24-21-30-27-11-5-4-10-26(24)27/h1-5,7-8,10-15,21,28,30H,6,9,16-20H2/t28-/m1/s1
InChIKeyPTXQKQPOIKEGBV-MUUNZHRXSA-N
XLogP5.65
TPSA22.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.57
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[3-[4-[(R)-(4-chlorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 92650578
3-[3-[4-[(S)-(4-methoxyphenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole
CID 6990058
3-[3-[4-(2-phenylethyl)piperazin-1-yl]propyl]-1H-indole
CID 19610450
3-(4-piperazin-1-ylbutyl)-1H-indole
CID 95465204
1-benzhydryl-4-[2-[bis(4-fluorophenyl)methoxy]ethyl]piperazine;dihydrochloride
CID 19849738
3-(2-pyrrolidin-1-ylethyl)-1H-indole
CID 26393
6-[4-[3-(5-fluoro-1H-indol-3-yl)propyl]piperazin-1-yl]-1H-pyridin-2-one
CID 141385793
6-fluoro-3-(3-piperazin-1-ylpropyl)-1H-indole
CID 82277487
1-[(4-fluorophenyl)-phenylmethyl]-4-methylpiperazine
CID 67474730
3-[4-[4-(2-phenoxyphenyl)piperazin-1-yl]butyl]-1H-indole
CID 10113204
4-[3-[4-[3-(1H-indol-3-yl)propyl]piperazin-1-yl]-2-methylphenyl]morpholine
CID 10295535
1-benzhydryl-4-octylpiperazine
CID 12006583

Frequently Asked Questions

What is the IUPAC name of 3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole?
The IUPAC name of 3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole (CID 7038412) is 3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole.
What is the SMILES notation for 3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole?
The canonical SMILES for 3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole is Fc1ccc([C@@H](c2ccccc2)N2CCN(CCCc3c[nH]c4ccccc34)CC2)cc1.
What is the InChIKey of 3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole?
The InChIKey is PTXQKQPOIKEGBV-MUUNZHRXSA-N. The full InChI is InChI=1S/C28H30FN3/c29-25-14-12-23(13-15-25)28(22-7-2-1-3-8-22)32-19-17-31(18-20-32)16-6-9-24-21-30-27-11-5-4-10-26(24)27/h1-5,7-8,10-15,21,28,30H,6,9,16-20H2/t28-/m1/s1.
What are the key properties of 3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole?
3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole has a molecular weight of 427.57 g/mol, XLogP of 5.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[4-[(R)-(4-fluorophenyl)-phenylmethyl]piperazin-1-yl]propyl]-1H-indole is sourced from PubChem (CID 7038412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).