1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one

C19H27FN2O2 — CID 119625530

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
SMILESCCC(Oc1ccccc1F)C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-2-17(24-18-6-4-3-5-16(18)20)19(23)22-11-9-15(10-12-22)21-13-14-7-8-14/h3-6,14-15,17,21H,2,7-13H2,1H3
InChIKeyQDMIKOLECBEHBZ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.97
Rot. Bonds7

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one (PubChem CID 119625530) has the molecular formula C19H27FN2O2 and a molecular weight of 334.44 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
PubChem CID119625530
Molecular FormulaC19H27FN2O2
Molecular Weight334.44 g/mol
Exact Mass334.21
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
SMILESCCC(Oc1ccccc1F)C(=O)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C19H27FN2O2/c1-2-17(24-18-6-4-3-5-16(18)20)19(23)22-11-9-15(10-12-22)21-13-14-7-8-14/h3-6,14-15,17,21H,2,7-13H2,1H3
InChIKeyQDMIKOLECBEHBZ-UHFFFAOYSA-N
XLogP2.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-aminopiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 119377005
1-[2-(2-fluorophenoxy)butanoyl]piperidine-4-carboxylic acid
CID 119166431
(2R)-2-(2-fluorophenoxy)-1-piperidin-1-ylbutan-1-one
CID 9173642
2-(2-fluorophenoxy)-1-morpholin-4-ylbutan-1-one
CID 53286283
(2R)-1-(4-ethylpiperazin-4-ium-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 9173669
2-(2-fluorophenoxy)-N-(1-methylpiperidin-4-yl)butanamide
CID 53286385
2-(2-chlorophenoxy)-1-[4-(methylamino)piperidin-1-yl]butan-1-one
CID 119562993
(2S)-1-[(3S)-3-[(1R)-1-aminoethyl]piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 124684153
2-(2-fluorophenoxy)-1-(3-pyrimidin-2-ylpyrrolidin-1-yl)butan-1-one
CID 136570836
1-[4-(ethylaminomethyl)piperidin-1-yl]-2-(2-methylphenoxy)butan-1-one;hydrochloride
CID 119648473
1-(4-acetyl-4-phenylpiperidin-1-yl)-2-(2-fluorophenoxy)butan-1-one
CID 16677782
1-[3-(aminomethyl)-3-methylpyrrolidin-1-yl]-2-(2-fluorophenoxy)butan-1-one
CID 120808959

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one (CID 119625530) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one is CCC(Oc1ccccc1F)C(=O)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one?
The InChIKey is QDMIKOLECBEHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27FN2O2/c1-2-17(24-18-6-4-3-5-16(18)20)19(23)22-11-9-15(10-12-22)21-13-14-7-8-14/h3-6,14-15,17,21H,2,7-13H2,1H3.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one has a molecular weight of 334.44 g/mol, XLogP of 2.97, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(2-fluorophenoxy)butan-1-one is sourced from PubChem (CID 119625530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).