1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine

C19H29F2N3O — CID 77088646

IUPAC1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOc2ccccc2CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C19H29F2N3O/c1-22-10-12-23(13-11-22)14-15-25-18-5-3-2-4-17(18)16-24-8-6-19(20,21)7-9-24/h2-5H,6-16H2,1H3
InChIKeyQYMLKZNFTHXHRV-UHFFFAOYSA-N
MW353.46 g/mol
LogP2.54
Rot. Bonds6

About 1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine

1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine (PubChem CID 77088646) has the molecular formula C19H29F2N3O and a molecular weight of 353.46 g/mol. Its IUPAC name is 1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
PubChem CID77088646
Molecular FormulaC19H29F2N3O
Molecular Weight353.46 g/mol
Exact Mass353.23
IUPAC Name1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine
SMILESCN1CCN(CCOc2ccccc2CN2CCC(F)(F)CC2)CC1
InChIInChI=1S/C19H29F2N3O/c1-22-10-12-23(13-11-22)14-15-25-18-5-3-2-4-17(18)16-24-8-6-19(20,21)7-9-24/h2-5H,6-16H2,1H3
InChIKeyQYMLKZNFTHXHRV-UHFFFAOYSA-N
XLogP2.54
TPSA18.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.46
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine 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

4,4-difluoro-1-[[2-[2-[(3S)-3-methylpiperidin-1-yl]ethoxy]phenyl]methyl]piperidine
CID 99931082
1-[[2-[2-(4-ethylpiperazin-1-yl)ethoxy]phenyl]methyl]-4-methyl-1,4-diazepane
CID 91792612
(3R,4R)-4-cyclopropyl-3-methyl-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-4-ol
CID 72877253
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]ethanamine
CID 62438685
1-methyl-4-[2-[2-[[(3R)-3-propan-2-ylpiperidin-1-yl]methyl]phenoxy]ethyl]piperazine
CID 99930492
N-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]propan-1-amine
CID 62438868
1-methyl-4-[3-[2-(2-pyrrolidin-1-ylethoxy)phenyl]propyl]piperazine
CID 170863761
[(2R)-1-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]piperidin-2-yl]methanamine
CID 99953156
(1S,5S)-3-[[2-[2-(4-methylpiperazin-1-yl)ethoxy]phenyl]methyl]-3,6-diazabicyclo[3.2.2]nonane
CID 74241524
4,4-difluoro-1-[2-(3-propan-2-ylnaphthalen-2-yl)oxyethyl]piperidine
CID 146440632
[2-[2-[2-(4-methylpiperazin-1-yl)ethoxy]ethoxy]phenyl]methanol
CID 2996618
1-[2-(2-butoxyphenoxy)ethyl]-4-methylpiperazine;hydrochloride
CID 2996491

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine?
The IUPAC name of 1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine (CID 77088646) is 1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine.
What is the SMILES notation for 1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine?
The canonical SMILES for 1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine is CN1CCN(CCOc2ccccc2CN2CCC(F)(F)CC2)CC1.
What is the InChIKey of 1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine?
The InChIKey is QYMLKZNFTHXHRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29F2N3O/c1-22-10-12-23(13-11-22)14-15-25-18-5-3-2-4-17(18)16-24-8-6-19(20,21)7-9-24/h2-5H,6-16H2,1H3.
What are the key properties of 1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine?
1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine has a molecular weight of 353.46 g/mol, XLogP of 2.54, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(4,4-difluoropiperidin-1-yl)methyl]phenoxy]ethyl]-4-methylpiperazine is sourced from PubChem (CID 77088646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).