(4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride

C17H23ClF2N2O — CID 172654394

IUPAC(4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(C2CCCNC2)cc1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H22F2N2O.ClH/c18-17(19)7-10-21(11-8-17)16(22)14-5-3-13(4-6-14)15-2-1-9-20-12-15;/h3-6,15,20H,1-2,7-12H2;1H
InChIKeyOMXSKBRQQKBOEA-UHFFFAOYSA-N
MW344.83 g/mol
LogP3.45
Rot. Bonds2

About (4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride

(4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride (PubChem CID 172654394) has the molecular formula C17H23ClF2N2O and a molecular weight of 344.83 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride
PubChem CID172654394
Molecular FormulaC17H23ClF2N2O
Molecular Weight344.83 g/mol
Exact Mass344.15
IUPAC Name(4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride
SMILESCl.O=C(c1ccc(C2CCCNC2)cc1)N1CCC(F)(F)CC1
InChIInChI=1S/C17H22F2N2O.ClH/c18-17(19)7-10-21(11-8-17)16(22)14-5-3-13(4-6-14)15-2-1-9-20-12-15;/h3-6,15,20H,1-2,7-12H2;1H
InChIKeyOMXSKBRQQKBOEA-UHFFFAOYSA-N
XLogP3.45
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.83
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(3S)-piperidin-3-yl]benzoic acid;hydrochloride
CID 154574772
[4-(oxan-4-yl)piperazin-1-yl]-[4-[(3S)-piperidin-3-yl]phenyl]methanone
CID 97189193
piperidin-1-yl-(3-piperidin-3-ylphenyl)methanone;hydrochloride
CID 172654432
1-(4-piperidin-3-ylphenyl)ethanone
CID 83404173
(4,4-difluoropiperidin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 154582456
(4-cyclohexylphenyl)-pyrrolidin-1-ylmethanone
CID 78791688
[4-[(3-methyl-2-pyridinyl)methyl]piperazin-1-yl]-(4-piperidin-3-ylphenyl)methanone
CID 72886799
(4-fluorophenyl)-[3-(4-fluorophenyl)piperidin-1-yl]methanone
CID 70334763
[3-[(3R)-piperidin-3-yl]phenyl]-spiro[1,2-dihydroindene-3,4'-piperidine]-1'-ylmethanone
CID 97199073
(7-chloro-3,5-dihydro-2H-1,4-benzoxazepin-4-yl)-[4-[(3S)-piperidin-3-yl]phenyl]methanone
CID 97198449
(4,4-difluoropiperidin-1-yl)-(3-methyl-5-piperidin-4-ylphenyl)methanone
CID 165436193
1-(4-piperidin-3-ylphenyl)cyclopropane-1-carboxylic acid
CID 116988322

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride (CID 172654394) is (4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride is Cl.O=C(c1ccc(C2CCCNC2)cc1)N1CCC(F)(F)CC1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride?
The InChIKey is OMXSKBRQQKBOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O.ClH/c18-17(19)7-10-21(11-8-17)16(22)14-5-3-13(4-6-14)15-2-1-9-20-12-15;/h3-6,15,20H,1-2,7-12H2;1H.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride?
(4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride has a molecular weight of 344.83 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(4-piperidin-3-ylphenyl)methanone;hydrochloride is sourced from PubChem (CID 172654394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).