(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone

C19H26F2N2O2 — CID 163357915

IUPAC(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(CN2CCCC(C(=O)N3CCC(F)(F)CC3)C2)cc1
InChIInChI=1S/C19H26F2N2O2/c1-25-17-6-4-15(5-7-17)13-22-10-2-3-16(14-22)18(24)23-11-8-19(20,21)9-12-23/h4-7,16H,2-3,8-14H2,1H3
InChIKeyMVZHKUNGZPEKLU-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.16
Rot. Bonds4

About (4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone

(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone (PubChem CID 163357915) has the molecular formula C19H26F2N2O2 and a molecular weight of 352.43 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone
PubChem CID163357915
Molecular FormulaC19H26F2N2O2
Molecular Weight352.43 g/mol
Exact Mass352.20
IUPAC Name(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone
SMILESCOc1ccc(CN2CCCC(C(=O)N3CCC(F)(F)CC3)C2)cc1
InChIInChI=1S/C19H26F2N2O2/c1-25-17-6-4-15(5-7-17)13-22-10-2-3-16(14-22)18(24)23-11-8-19(20,21)9-12-23/h4-7,16H,2-3,8-14H2,1H3
InChIKeyMVZHKUNGZPEKLU-UHFFFAOYSA-N
XLogP3.16
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone with MolForge

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Related Compounds

[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;oxalic acid
CID 662630
methyl 1-[(4-methoxyphenyl)methyl]piperidine-3-carboxylate;hydrochloride
CID 14181476
[1-[(2-chlorophenyl)methyl]piperidin-3-yl]-(4,4-difluoropiperidin-1-yl)methanone
CID 163357971
(4,4-difluoropiperidin-1-yl)-[1-[[3-(trifluoromethyl)phenyl]methyl]piperidin-3-yl]methanone
CID 163354854
cyclohexyl-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]methanone
CID 110398878
azepan-1-yl-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]methanone
CID 3796866
1-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]butan-1-one
CID 59730198
(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]piperidin-3-yl]methanone
CID 163356436
[1-[(4-methylphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 2930824
[1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 3409928
[(3S)-1-[(3,4-dimethoxyphenyl)methyl]piperidin-3-yl]-piperidin-1-ylmethanone
CID 756481
[1-[(4-chlorophenyl)methyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone;hydrochloride
CID 163326469

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone (CID 163357915) is (4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone is COc1ccc(CN2CCCC(C(=O)N3CCC(F)(F)CC3)C2)cc1.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone?
The InChIKey is MVZHKUNGZPEKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26F2N2O2/c1-25-17-6-4-15(5-7-17)13-22-10-2-3-16(14-22)18(24)23-11-8-19(20,21)9-12-23/h4-7,16H,2-3,8-14H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone?
(4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone has a molecular weight of 352.43 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-[1-[(4-methoxyphenyl)methyl]piperidin-3-yl]methanone is sourced from PubChem (CID 163357915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).