5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate

C25H32F2N2O3 — CID 15042256

IUPAC5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate
SMILESCNC(=O)OCCCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H32F2N2O3/c1-28-24(30)32-18-4-2-3-15-29-16-13-21(14-17-29)25(31,19-5-9-22(26)10-6-19)20-7-11-23(27)12-8-20/h5-12,21,31H,2-4,13-18H2,1H3,(H,28,30)
InChIKeyBRGYZWPZVLNGAT-UHFFFAOYSA-N
MW446.54 g/mol
LogP4.44
Rot. Bonds9

About 5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate

5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate (PubChem CID 15042256) has the molecular formula C25H32F2N2O3 and a molecular weight of 446.54 g/mol. Its IUPAC name is 5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate.

Molecular Properties

Compound Name5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate
PubChem CID15042256
Molecular FormulaC25H32F2N2O3
Molecular Weight446.54 g/mol
Exact Mass446.24
IUPAC Name5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate
SMILESCNC(=O)OCCCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1
InChIInChI=1S/C25H32F2N2O3/c1-28-24(30)32-18-4-2-3-15-29-16-13-21(14-17-29)25(31,19-5-9-22(26)10-6-19)20-7-11-23(27)12-8-20/h5-12,21,31H,2-4,13-18H2,1H3,(H,28,30)
InChIKeyBRGYZWPZVLNGAT-UHFFFAOYSA-N
XLogP4.44
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.54
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate with MolForge

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

Launch Full Analysis

Related Compounds

bis(4-fluorophenyl)-[1-(3-phenoxypropyl)piperidin-4-yl]methanol;oxalic acid
CID 23036403
ethyl 2-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]benzoate
CID 14407134
1-[4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]-3-methylphenyl]ethanone
CID 14407099
[1-[3-(4-fluorophenoxy)propyl]piperidin-4-yl]-diphenylmethanol;2,2,2-trifluoroacetic acid
CID 53300854
4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]benzonitrile
CID 14407100
1-[4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]-2-methoxyphenyl]ethanone
CID 14407140
2-[4-[3-[4-[(4-fluorophenyl)-hydroxy-phenylmethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]-2-oxoacetic acid
CID 19983080
1-[4-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butyl]-7-methyl-5,6-dihydropyrrolo[2,3-c]azepine-4,8-dione
CID 19937401
[1-[4-(4-fluorophenyl)pentyl]piperidin-4-yl]-diphenylmethanol
CID 126669285
6-[2-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]ethyl]-3-methyl-1,3-oxazinan-2-one;oxalic acid
CID 14698767
6-[4-[hydroxy-bis(4-methoxyphenyl)methyl]piperidin-1-yl]-N,N-dimethylhexanamide
CID 19992327
benzyl 2-[4-[3-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]propoxy]-3-methoxyphenyl]-2-hydroxyacetate
CID 15020369

Frequently Asked Questions

What is the IUPAC name of 5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate?
The IUPAC name of 5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate (CID 15042256) is 5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate.
What is the SMILES notation for 5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate?
The canonical SMILES for 5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate is CNC(=O)OCCCCCN1CCC(C(O)(c2ccc(F)cc2)c2ccc(F)cc2)CC1.
What is the InChIKey of 5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate?
The InChIKey is BRGYZWPZVLNGAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32F2N2O3/c1-28-24(30)32-18-4-2-3-15-29-16-13-21(14-17-29)25(31,19-5-9-22(26)10-6-19)20-7-11-23(27)12-8-20/h5-12,21,31H,2-4,13-18H2,1H3,(H,28,30).
What are the key properties of 5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate?
5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate has a molecular weight of 446.54 g/mol, XLogP of 4.44, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[bis(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]pentyl N-methylcarbamate is sourced from PubChem (CID 15042256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).