1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one

C14H24F2N2O2 — CID 103209701

IUPAC1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)F)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H24F2N2O2/c15-13(16)10-20-8-5-14(19)18-6-3-12(4-7-18)17-9-11-1-2-11/h11-13,17H,1-10H2
InChIKeyYJFFQWJLCSVKKU-UHFFFAOYSA-N
MW290.35 g/mol
LogP1.65
Rot. Bonds8

About 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one

1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one (PubChem CID 103209701) has the molecular formula C14H24F2N2O2 and a molecular weight of 290.35 g/mol. Its IUPAC name is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one.

Molecular Properties

Compound Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one
PubChem CID103209701
Molecular FormulaC14H24F2N2O2
Molecular Weight290.35 g/mol
Exact Mass290.18
IUPAC Name1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one
SMILESO=C(CCOCC(F)F)N1CCC(NCC2CC2)CC1
InChIInChI=1S/C14H24F2N2O2/c15-13(16)10-20-8-5-14(19)18-6-3-12(4-7-18)17-9-11-1-2-11/h11-13,17H,1-10H2
InChIKeyYJFFQWJLCSVKKU-UHFFFAOYSA-N
XLogP1.65
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.35
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-1-[4-[(4-methylcyclohexyl)methylamino]piperidin-1-yl]propan-1-one
CID 75436334
3-(2,2-difluoroethoxy)-1-[3-(hydroxymethyl)pyrrolidin-1-yl]propan-1-one
CID 103209043
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methoxybutan-1-one;hydrochloride
CID 119622312
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-phenoxypropan-1-one;hydrochloride
CID 119623158
2-cyclopentyl-1-[4-(cyclopropylmethylamino)piperidin-1-yl]ethanone
CID 81424496
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-2-(trifluoromethylsulfanyl)ethanone
CID 119622325
4-[4-(cyclopropylmethylamino)piperidin-1-yl]-N,N-diethyl-4-oxobutanamide
CID 119625023
3-(2,2-difluoroethoxy)-1-[(3S)-3-hydroxypiperidin-1-yl]propan-1-one
CID 107224846
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3,4,4-trimethylpentan-1-one
CID 81483865
N-[4-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-oxobutyl]cyclopropanecarboxamide;hydrochloride
CID 119623305
[4-(cyclopropylmethylamino)piperidin-1-yl]-pyrrolidin-1-ylmethanone
CID 115307161
cyclopropyl-[4-(cyclopropylmethylamino)piperidin-1-yl]methanone
CID 43747911

Frequently Asked Questions

What is the IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one?
The IUPAC name of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one (CID 103209701) is 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one.
What is the SMILES notation for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one?
The canonical SMILES for 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one is O=C(CCOCC(F)F)N1CCC(NCC2CC2)CC1.
What is the InChIKey of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one?
The InChIKey is YJFFQWJLCSVKKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F2N2O2/c15-13(16)10-20-8-5-14(19)18-6-3-12(4-7-18)17-9-11-1-2-11/h11-13,17H,1-10H2.
What are the key properties of 1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one?
1-[4-(cyclopropylmethylamino)piperidin-1-yl]-3-(2,2-difluoroethoxy)propan-1-one has a molecular weight of 290.35 g/mol, XLogP of 1.65, 8 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]-3-(2,2-difluoroethoxy)propan-1-one is sourced from PubChem (CID 103209701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).