(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone

C15H20F2N2O — CID 60818593

IUPAC(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H20F2N2O/c1-2-5-18-14-3-6-19(7-4-14)15(20)11-8-12(16)10-13(17)9-11/h8-10,14,18H,2-7H2,1H3
InChIKeyWZVCGICDZWJUEQ-UHFFFAOYSA-N
MW282.33 g/mol
LogP2.57
Rot. Bonds4

About (3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone

(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone (PubChem CID 60818593) has the molecular formula C15H20F2N2O and a molecular weight of 282.33 g/mol. Its IUPAC name is (3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone
PubChem CID60818593
Molecular FormulaC15H20F2N2O
Molecular Weight282.33 g/mol
Exact Mass282.15
IUPAC Name(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone
SMILESCCCNC1CCN(C(=O)c2cc(F)cc(F)c2)CC1
InChIInChI=1S/C15H20F2N2O/c1-2-5-18-14-3-6-19(7-4-14)15(20)11-8-12(16)10-13(17)9-11/h8-10,14,18H,2-7H2,1H3
InChIKeyWZVCGICDZWJUEQ-UHFFFAOYSA-N
XLogP2.57
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4-ethylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819285
[4-(propylamino)piperidin-1-yl]-pyridazin-4-ylmethanone
CID 104668815
(5-fluoro-2-pyridinyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 104637888
(2-fluoro-4-hydroxyphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107674300
(3-fluoro-5-methylphenyl)-[4-(methylamino)piperidin-1-yl]methanone;hydrochloride
CID 119559740
N-(4-fluorophenyl)-4-(propylamino)piperidine-1-carboxamide
CID 60819629
(4-hydroxy-2-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 107670478
4-(propylamino)piperidine-1-carbothioic S-acid
CID 143221289
[3-ethyl-4-(propylamino)piperidin-1-yl]-(4-fluorophenyl)methanone
CID 114506968
(2-hydroxy-3-methylphenyl)-[4-(propylamino)piperidin-1-yl]methanone
CID 60819959
N-[1-(3-fluorobenzoyl)piperidin-4-yl]propanamide
CID 110820378
azocan-1-yl-(3,5-difluorophenyl)methanone
CID 86976941

Frequently Asked Questions

What is the IUPAC name of (3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The IUPAC name of (3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone (CID 60818593) is (3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone is CCCNC1CCN(C(=O)c2cc(F)cc(F)c2)CC1.
What is the InChIKey of (3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone?
The InChIKey is WZVCGICDZWJUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O/c1-2-5-18-14-3-6-19(7-4-14)15(20)11-8-12(16)10-13(17)9-11/h8-10,14,18H,2-7H2,1H3.
What are the key properties of (3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone?
(3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone has a molecular weight of 282.33 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluorophenyl)-[4-(propylamino)piperidin-1-yl]methanone is sourced from PubChem (CID 60818593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).