[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol

C21H27N3O2 — CID 56754374

IUPAC[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESOCC1(CCOc2ccccc2)CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C21H27N3O2/c25-15-21(11-14-26-17-5-2-1-3-6-17)9-12-24(13-10-21)20-18-7-4-8-19(18)22-16-23-20/h1-3,5-6,16,25H,4,7-15H2
InChIKeyHBNOUOLKWRPUFT-UHFFFAOYSA-N
MW353.47 g/mol
LogP3.01
Rot. Bonds6

About [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol

[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol (PubChem CID 56754374) has the molecular formula C21H27N3O2 and a molecular weight of 353.47 g/mol. Its IUPAC name is [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol.

Molecular Properties

Compound Name[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
PubChem CID56754374
Molecular FormulaC21H27N3O2
Molecular Weight353.47 g/mol
Exact Mass353.21
IUPAC Name[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol
SMILESOCC1(CCOc2ccccc2)CCN(c2ncnc3c2CCC3)CC1
InChIInChI=1S/C21H27N3O2/c25-15-21(11-14-26-17-5-2-1-3-6-17)9-12-24(13-10-21)20-18-7-4-8-19(18)22-16-23-20/h1-3,5-6,16,25H,4,7-15H2
InChIKeyHBNOUOLKWRPUFT-UHFFFAOYSA-N
XLogP3.01
TPSA58.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.47
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol 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 [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The IUPAC name of [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol (CID 56754374) is [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol.
What is the SMILES notation for [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The canonical SMILES for [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol is OCC1(CCOc2ccccc2)CCN(c2ncnc3c2CCC3)CC1.
What is the InChIKey of [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
The InChIKey is HBNOUOLKWRPUFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O2/c25-15-21(11-14-26-17-5-2-1-3-6-17)9-12-24(13-10-21)20-18-7-4-8-19(18)22-16-23-20/h1-3,5-6,16,25H,4,7-15H2.
What are the key properties of [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol?
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol has a molecular weight of 353.47 g/mol, XLogP of 3.01, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-4-(2-phenoxyethyl)piperidin-4-yl]methanol is sourced from PubChem (CID 56754374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).