[4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate

C19H23FN4O3 — CID 142647369

IUPAC[4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate
SMILESCNC(=O)OCOc1ccc(CN2CCN(c3ncccc3F)CC2)cc1
InChIInChI=1S/C19H23FN4O3/c1-21-19(25)27-14-26-16-6-4-15(5-7-16)13-23-9-11-24(12-10-23)18-17(20)3-2-8-22-18/h2-8H,9-14H2,1H3,(H,21,25)
InChIKeyAHWWWNFLZHLKJJ-UHFFFAOYSA-N
MW374.42 g/mol
LogP2.24
Rot. Bonds6

About [4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate

[4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate (PubChem CID 142647369) has the molecular formula C19H23FN4O3 and a molecular weight of 374.42 g/mol. Its IUPAC name is [4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate.

Molecular Properties

Compound Name[4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate
PubChem CID142647369
Molecular FormulaC19H23FN4O3
Molecular Weight374.42 g/mol
Exact Mass374.18
IUPAC Name[4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate
SMILESCNC(=O)OCOc1ccc(CN2CCN(c3ncccc3F)CC2)cc1
InChIInChI=1S/C19H23FN4O3/c1-21-19(25)27-14-26-16-6-4-15(5-7-16)13-23-9-11-24(12-10-23)18-17(20)3-2-8-22-18/h2-8H,9-14H2,1H3,(H,21,25)
InChIKeyAHWWWNFLZHLKJJ-UHFFFAOYSA-N
XLogP2.24
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

methyl 2-[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]acetate
CID 71922971
2-[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 141306651
2-[4-[(4-butoxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 18536272
[2-[4-[[4-[[4-[(2-chloro-6-fluorophenyl)methyl]piperazin-1-yl]methyl]phenyl]methyl]piperazin-1-yl]-3-pyridinyl] 2-methylpropanoate
CID 174676277
1-[(2,5-dimethoxyphenyl)methyl]-4-(3-fluoro-2-pyridinyl)piperazine
CID 165435291
(6R)-1-benzyl-4-(3-fluoro-2-pyridinyl)-1,4-diazepan-6-ol
CID 97281064
propan-2-yl 2-[4-[[4-[(2,6-difluorophenoxy)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 53339108
propan-2-yl 2-[4-[[4-[(4-methoxyphenyl)methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylate
CID 159232746
2-[4-[(4-hydroxyphenyl)methyl]piperazin-1-yl]pyridine-3-carboxamide
CID 86805748
N-ethyl-2-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]pyridin-3-amine
CID 15953887
2-(4-benzylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 18536294
2-[4-[[4-[[(2-chloro-6-fluorophenyl)methylamino]methyl]phenyl]methyl]piperazin-1-yl]pyridine-3-carboxylic acid
CID 123577258

Frequently Asked Questions

What is the IUPAC name of [4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate?
The IUPAC name of [4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate (CID 142647369) is [4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate.
What is the SMILES notation for [4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate?
The canonical SMILES for [4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate is CNC(=O)OCOc1ccc(CN2CCN(c3ncccc3F)CC2)cc1.
What is the InChIKey of [4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate?
The InChIKey is AHWWWNFLZHLKJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O3/c1-21-19(25)27-14-26-16-6-4-15(5-7-16)13-23-9-11-24(12-10-23)18-17(20)3-2-8-22-18/h2-8H,9-14H2,1H3,(H,21,25).
What are the key properties of [4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate?
[4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate has a molecular weight of 374.42 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(3-fluoro-2-pyridinyl)piperazin-1-yl]methyl]phenoxy]methyl N-methylcarbamate is sourced from PubChem (CID 142647369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).