[3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride

C19H28ClF2N3O — CID 68859423

IUPAC[3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride
SMILESCC(C)N1CCN(c2cc(C(=O)N3CCCCC3)cc(F)c2F)CC1.Cl
InChIInChI=1S/C19H27F2N3O.ClH/c1-14(2)22-8-10-23(11-9-22)17-13-15(12-16(20)18(17)21)19(25)24-6-4-3-5-7-24;/h12-14H,3-11H2,1-2H3;1H
InChIKeyTUXYZUVWWJISNI-UHFFFAOYSA-N
MW387.90 g/mol
LogP3.54
Rot. Bonds3

About [3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride

[3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride (PubChem CID 68859423) has the molecular formula C19H28ClF2N3O and a molecular weight of 387.90 g/mol. Its IUPAC name is [3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride.

Molecular Properties

Compound Name[3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride
PubChem CID68859423
Molecular FormulaC19H28ClF2N3O
Molecular Weight387.90 g/mol
Exact Mass387.19
IUPAC Name[3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride
SMILESCC(C)N1CCN(c2cc(C(=O)N3CCCCC3)cc(F)c2F)CC1.Cl
InChIInChI=1S/C19H27F2N3O.ClH/c1-14(2)22-8-10-23(11-9-22)17-13-15(12-16(20)18(17)21)19(25)24-6-4-3-5-7-24;/h12-14H,3-11H2,1-2H3;1H
InChIKeyTUXYZUVWWJISNI-UHFFFAOYSA-N
XLogP3.54
TPSA26.79 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.90
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-amino-3,5-difluorophenyl)-piperidin-1-ylmethanone
CID 63187366
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941
[3,5-bis(pyrrolidine-1-carbonyl)phenyl]-pyrrolidin-1-ylmethanone
CID 171722697
(4-chlorophenyl)-(4-propan-2-yl-1,4-diazepan-1-yl)methanone
CID 90085028
[3-(1-aminoethyl)piperidin-1-yl]-(3,4,5-trifluorophenyl)methanone;hydrochloride
CID 119596663
1,4-diazepan-1-yl-(3,4,5-trifluorophenyl)methanone
CID 63183784
2-amino-2-[4-(3,4,5-trifluorobenzoyl)piperazin-1-yl]acetaldehyde
CID 87531421
[1-(3,5-dimethylbenzoyl)piperidin-3-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 55792197
1-(3,4,5-trifluorobenzoyl)pyrrolidine-3-carboxylic acid
CID 55160200
(4-fluoro-3-propan-2-ylphenyl)-pyrrolidin-1-ylmethanone
CID 164882454
(3,4-difluoro-5-piperidin-4-ylphenyl)-piperidin-1-ylmethanone
CID 172648907
[3-(piperidine-1-carbonyl)-1-benzothiophen-6-yl]-(4-propan-2-ylpiperazin-1-yl)methanone
CID 25060127

Frequently Asked Questions

What is the IUPAC name of [3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride?
The IUPAC name of [3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride (CID 68859423) is [3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride.
What is the SMILES notation for [3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride?
The canonical SMILES for [3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride is CC(C)N1CCN(c2cc(C(=O)N3CCCCC3)cc(F)c2F)CC1.Cl.
What is the InChIKey of [3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride?
The InChIKey is TUXYZUVWWJISNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27F2N3O.ClH/c1-14(2)22-8-10-23(11-9-22)17-13-15(12-16(20)18(17)21)19(25)24-6-4-3-5-7-24;/h12-14H,3-11H2,1-2H3;1H.
What are the key properties of [3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride?
[3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride has a molecular weight of 387.90 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3,4-difluoro-5-(4-propan-2-ylpiperazin-1-yl)phenyl]-piperidin-1-ylmethanone;hydrochloride is sourced from PubChem (CID 68859423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).