2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone

C20H29FN2O — CID 95648491

IUPAC2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1C(=O)CN1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O/c1-16-5-2-3-10-23(16)20(24)15-22-11-8-17(9-12-22)13-18-6-4-7-19(21)14-18/h4,6-7,14,16-17H,2-3,5,8-13,15H2,1H3/t16-/m1/s1
InChIKeyRZFWELMXYDSSNH-MRXNPFEDSA-N
MW332.46 g/mol
LogP3.48
Rot. Bonds4

About 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone

2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone (PubChem CID 95648491) has the molecular formula C20H29FN2O and a molecular weight of 332.46 g/mol. Its IUPAC name is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
PubChem CID95648491
Molecular FormulaC20H29FN2O
Molecular Weight332.46 g/mol
Exact Mass332.23
IUPAC Name2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
SMILESC[C@@H]1CCCCN1C(=O)CN1CCC(Cc2cccc(F)c2)CC1
InChIInChI=1S/C20H29FN2O/c1-16-5-2-3-10-23(16)20(24)15-22-11-8-17(9-12-22)13-18-6-4-7-19(21)14-18/h4,6-7,14,16-17H,2-3,5,8-13,15H2,1H3/t16-/m1/s1
InChIKeyRZFWELMXYDSSNH-MRXNPFEDSA-N
XLogP3.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.46
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(azepan-1-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502254
2-[(3-fluorophenyl)methyl-methylamino]-1-(2-methylpiperidin-1-yl)ethanone
CID 86908473
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N-methyl-N-phenylacetamide
CID 60502457
2-[4-[2-(2-fluorophenyl)ethyl]piperazin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone
CID 99642062
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-N,N-bis(prop-2-enyl)acetamide
CID 60502323
2-[4-(aminomethyl)piperidin-1-yl]-1-(2-methylpiperidin-1-yl)ethanone;hydrochloride
CID 119909747
1-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]ethanone
CID 60502553
2-(4-aminopiperidin-1-yl)-1-(2-methylazepan-1-yl)ethanone
CID 79328192
3-(3-methylphenyl)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]propan-1-one
CID 55564382
2-[5-(3-fluorophenyl)tetrazol-2-yl]-1-(2-methylpiperidin-1-yl)ethanone
CID 46806692
1-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-2-(methylamino)ethanone
CID 119736878
N-(2,4-difluorophenyl)-4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazine-1-carboxamide
CID 75806651

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The IUPAC name of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone (CID 95648491) is 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone.
What is the SMILES notation for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The canonical SMILES for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone is C[C@@H]1CCCCN1C(=O)CN1CCC(Cc2cccc(F)c2)CC1.
What is the InChIKey of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
The InChIKey is RZFWELMXYDSSNH-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H29FN2O/c1-16-5-2-3-10-23(16)20(24)15-22-11-8-17(9-12-22)13-18-6-4-7-19(21)14-18/h4,6-7,14,16-17H,2-3,5,8-13,15H2,1H3/t16-/m1/s1.
What are the key properties of 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone?
2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone has a molecular weight of 332.46 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3-fluorophenyl)methyl]piperidin-1-yl]-1-[(2R)-2-methylpiperidin-1-yl]ethanone is sourced from PubChem (CID 95648491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).