butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate

C17H25FN2O2 — CID 56912606

IUPACbutyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
SMILESCCCCOC(=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O2/c1-2-3-11-22-17(21)19-15-8-6-10-20(13-15)12-14-7-4-5-9-16(14)18/h4-5,7,9,15H,2-3,6,8,10-13H2,1H3,(H,19,21)
InChIKeyHIVNBXUWTASOHS-UHFFFAOYSA-N
MW308.40 g/mol
LogP3.32
Rot. Bonds6

About butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate

butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate (PubChem CID 56912606) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate.

Molecular Properties

Compound Namebutyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
PubChem CID56912606
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Namebutyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate
SMILESCCCCOC(=O)NC1CCCN(Cc2ccccc2F)C1
InChIInChI=1S/C17H25FN2O2/c1-2-3-11-22-17(21)19-15-8-6-10-20(13-15)12-14-7-4-5-9-16(14)18/h4-5,7,9,15H,2-3,6,8,10-13H2,1H3,(H,19,21)
InChIKeyHIVNBXUWTASOHS-UHFFFAOYSA-N
XLogP3.32
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate 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

N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-methylbenzamide
CID 23723582
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-(methoxymethyl)cyclobutane-1-carboxamide
CID 56892586
5-acetyl-N-[(3S)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]thiophene-2-carboxamide
CID 42310633
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]cyclopentene-1-carboxamide
CID 45185934
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-(1-methylpyrrol-2-yl)-2-oxoacetamide
CID 131921487
N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1,2-dimethylpyrrole-3-carboxamide
CID 122569970
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-2-oxo-4-phenylbutanamide
CID 95711358
(3S)-N-(cyclopropylmethyl)-1-[(2-fluorophenyl)methyl]piperidin-3-amine
CID 51656625
ethyl N-[1-[2-(2-fluorophenyl)-2-hydroxyethyl]piperidin-3-yl]carbamate
CID 110892585
N-[(3R)-1-[(2-fluorophenyl)methyl]piperidin-3-yl]-1-methyl-4-phenylpiperidine-4-carboxamide
CID 42307959
N-(3-ethoxypropyl)-1-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 43923972
2-(3,6-dioxo-1,2-dihydropyridazin-4-yl)-N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]acetamide
CID 118792938

Frequently Asked Questions

What is the IUPAC name of butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate?
The IUPAC name of butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate (CID 56912606) is butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate.
What is the SMILES notation for butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate?
The canonical SMILES for butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate is CCCCOC(=O)NC1CCCN(Cc2ccccc2F)C1.
What is the InChIKey of butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate?
The InChIKey is HIVNBXUWTASOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c1-2-3-11-22-17(21)19-15-8-6-10-20(13-15)12-14-7-4-5-9-16(14)18/h4-5,7,9,15H,2-3,6,8,10-13H2,1H3,(H,19,21).
What are the key properties of butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate?
butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate has a molecular weight of 308.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for butyl N-[1-[(2-fluorophenyl)methyl]piperidin-3-yl]carbamate is sourced from PubChem (CID 56912606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).