2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

C28H39N3O — CID 45187414

IUPAC2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2CCO)CC1
InChIInChI=1S/C28H39N3O/c1-21(2)30-12-9-25(10-13-30)31-15-14-29(20-26(31)11-16-32)19-22-7-8-28-24(17-22)18-23-5-3-4-6-27(23)28/h3-8,17,21,25-26,32H,9-16,18-20H2,1-2H3
InChIKeyLDEVHCPXQKLGFW-UHFFFAOYSA-N
MW433.64 g/mol
LogP4.00
Rot. Bonds6

About 2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol

2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (PubChem CID 45187414) has the molecular formula C28H39N3O and a molecular weight of 433.64 g/mol. Its IUPAC name is 2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.

Molecular Properties

Compound Name2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
PubChem CID45187414
Molecular FormulaC28H39N3O
Molecular Weight433.64 g/mol
Exact Mass433.31
IUPAC Name2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol
SMILESCC(C)N1CCC(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2CCO)CC1
InChIInChI=1S/C28H39N3O/c1-21(2)30-12-9-25(10-13-30)31-15-14-29(20-26(31)11-16-32)19-22-7-8-28-24(17-22)18-23-5-3-4-6-27(23)28/h3-8,17,21,25-26,32H,9-16,18-20H2,1-2H3
InChIKeyLDEVHCPXQKLGFW-UHFFFAOYSA-N
XLogP4.00
TPSA29.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.64
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The IUPAC name of 2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol (CID 45187414) is 2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol.
What is the SMILES notation for 2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The canonical SMILES for 2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is CC(C)N1CCC(N2CCN(Cc3ccc4c(c3)Cc3ccccc3-4)CC2CCO)CC1.
What is the InChIKey of 2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
The InChIKey is LDEVHCPXQKLGFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H39N3O/c1-21(2)30-12-9-25(10-13-30)31-15-14-29(20-26(31)11-16-32)19-22-7-8-28-24(17-22)18-23-5-3-4-6-27(23)28/h3-8,17,21,25-26,32H,9-16,18-20H2,1-2H3.
What are the key properties of 2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol?
2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol has a molecular weight of 433.64 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(9H-fluoren-2-ylmethyl)-1-(1-propan-2-ylpiperidin-4-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 45187414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).