[2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate

C27H29N3O2 — CID 174676234

IUPAC[2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1cccnc1N1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1
InChIInChI=1S/C27H29N3O2/c1-19(2)27(31)32-25-8-5-11-28-26(25)30-14-12-29(13-15-30)18-20-9-10-24-22(16-20)17-21-6-3-4-7-23(21)24/h3-11,16,19H,12-15,17-18H2,1-2H3
InChIKeyZSSORRIWLREKBL-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.54
Rot. Bonds5

About [2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate

[2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate (PubChem CID 174676234) has the molecular formula C27H29N3O2 and a molecular weight of 427.55 g/mol. Its IUPAC name is [2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate.

Molecular Properties

Compound Name[2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate
PubChem CID174676234
Molecular FormulaC27H29N3O2
Molecular Weight427.55 g/mol
Exact Mass427.23
IUPAC Name[2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate
SMILESCC(C)C(=O)Oc1cccnc1N1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1
InChIInChI=1S/C27H29N3O2/c1-19(2)27(31)32-25-8-5-11-28-26(25)30-14-12-29(13-15-30)18-20-9-10-24-22(16-20)17-21-6-3-4-7-23(21)24/h3-11,16,19H,12-15,17-18H2,1-2H3
InChIKeyZSSORRIWLREKBL-UHFFFAOYSA-N
XLogP4.54
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate?
The IUPAC name of [2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate (CID 174676234) is [2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate.
What is the SMILES notation for [2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate?
The canonical SMILES for [2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate is CC(C)C(=O)Oc1cccnc1N1CCN(Cc2ccc3c(c2)Cc2ccccc2-3)CC1.
What is the InChIKey of [2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate?
The InChIKey is ZSSORRIWLREKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O2/c1-19(2)27(31)32-25-8-5-11-28-26(25)30-14-12-29(13-15-30)18-20-9-10-24-22(16-20)17-21-6-3-4-7-23(21)24/h3-11,16,19H,12-15,17-18H2,1-2H3.
What are the key properties of [2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate?
[2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate has a molecular weight of 427.55 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-(9H-fluoren-2-ylmethyl)piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate is sourced from PubChem (CID 174676234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).