3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

C19H28FN3O — CID 120981575

IUPAC3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCC(Cc2ccccc2F)CC1)N1CCNCC1
InChIInChI=1S/C19H28FN3O/c20-18-4-2-1-3-17(18)15-16-5-10-22(11-6-16)12-7-19(24)23-13-8-21-9-14-23/h1-4,16,21H,5-15H2
InChIKeyRJFQFWGDSVDGDB-UHFFFAOYSA-N
MW333.45 g/mol
LogP1.90
Rot. Bonds5

About 3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one

3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (PubChem CID 120981575) has the molecular formula C19H28FN3O and a molecular weight of 333.45 g/mol. Its IUPAC name is 3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.

Molecular Properties

Compound Name3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
PubChem CID120981575
Molecular FormulaC19H28FN3O
Molecular Weight333.45 g/mol
Exact Mass333.22
IUPAC Name3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
SMILESO=C(CCN1CCC(Cc2ccccc2F)CC1)N1CCNCC1
InChIInChI=1S/C19H28FN3O/c20-18-4-2-1-3-17(18)15-16-5-10-22(11-6-16)12-7-19(24)23-13-8-21-9-14-23/h1-4,16,21H,5-15H2
InChIKeyRJFQFWGDSVDGDB-UHFFFAOYSA-N
XLogP1.90
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2,6-difluorobenzoyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981277
1-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-3-(oxetan-2-yl)propan-1-one
CID 138034492
2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]acetamide
CID 75370712
3-[4-[(4-methoxyphenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120981397
3-[cyclopropyl-[(2-fluorophenyl)methyl]amino]-1-piperazin-1-ylpropan-1-one
CID 120980502
4-[(2-fluorophenyl)methyl]piperidine;hydrochloride
CID 46172843
4-fluoro-N-[2-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]ethyl]benzamide;hydrochloride
CID 139726411
3-(3-benzylpiperidin-1-yl)-1-piperazin-1-ylpropan-1-one
CID 120981580
3-[4-(2-phenylethyl)piperazin-1-yl]-1-piperazin-1-ylpropan-1-one
CID 120982352
3-(2,3-difluorophenyl)-1-piperazin-1-ylpropan-1-one
CID 83925483
3-[4-(diethylaminomethyl)piperidin-1-yl]-1-piperazin-1-ylpropan-1-one;dihydrochloride
CID 120982442
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[4-(hydroxymethyl)piperidin-1-yl]propan-1-one
CID 60500933

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The IUPAC name of 3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one (CID 120981575) is 3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one.
What is the SMILES notation for 3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The canonical SMILES for 3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is O=C(CCN1CCC(Cc2ccccc2F)CC1)N1CCNCC1.
What is the InChIKey of 3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
The InChIKey is RJFQFWGDSVDGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28FN3O/c20-18-4-2-1-3-17(18)15-16-5-10-22(11-6-16)12-7-19(24)23-13-8-21-9-14-23/h1-4,16,21H,5-15H2.
What are the key properties of 3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one?
3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one has a molecular weight of 333.45 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(2-fluorophenyl)methyl]piperidin-1-yl]-1-piperazin-1-ylpropan-1-one is sourced from PubChem (CID 120981575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).