N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine

C12H22F2N2O — CID 114128506

IUPACN-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine
SMILESFC(F)COCCN1CCCC(NC2CC2)C1
InChIInChI=1S/C12H22F2N2O/c13-12(14)9-17-7-6-16-5-1-2-11(8-16)15-10-3-4-10/h10-12,15H,1-9H2
InChIKeyGLKVYPXYZUGFMH-UHFFFAOYSA-N
MW248.32 g/mol
LogP1.48
Rot. Bonds7

About N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine

N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine (PubChem CID 114128506) has the molecular formula C12H22F2N2O and a molecular weight of 248.32 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine
PubChem CID114128506
Molecular FormulaC12H22F2N2O
Molecular Weight248.32 g/mol
Exact Mass248.17
IUPAC NameN-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine
SMILESFC(F)COCCN1CCCC(NC2CC2)C1
InChIInChI=1S/C12H22F2N2O/c13-12(14)9-17-7-6-16-5-1-2-11(8-16)15-10-3-4-10/h10-12,15H,1-9H2
InChIKeyGLKVYPXYZUGFMH-UHFFFAOYSA-N
XLogP1.48
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 51.48
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

N-cyclopentyl-1-(2-methoxyethyl)piperidin-3-amine;hydrochloride
CID 115616375
1-[2-(2,2-difluoroethoxy)ethyl]-3-propan-2-yl-1,4-diazepane
CID 114127972
1-[2-(2,2-difluoroethoxy)ethyl]-3-(2-methylpropyl)-1,4-diazepane
CID 114127986
(3S)-1-(2-methoxyethyl)-N-[(3S)-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]piperidin-3-amine
CID 124859703
N-cyclopropyl-1-[2-(1-methylpiperidin-4-yl)ethyl]piperidin-3-amine
CID 114516764
1-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylmethanamine;hydrochloride
CID 120966176
N-cyclopropyl-1-(2,3,3-trimethylbutyl)piperidin-3-amine
CID 83147276
2-[1-[2-(2,2-difluoroethoxy)ethyl]piperidin-4-yl]-N-methylethanamine
CID 120966696
2-[3-(cyclopropylamino)piperidin-1-yl]acetic acid
CID 83991919
N-cyclopropyl-1-(2-methoxy-2-methylpropyl)piperidin-3-amine
CID 104766166
N-cyclopropyl-1-(2,2,3,3-tetrafluoropropyl)pyrrolidin-3-amine
CID 106294062
N-(1-ethylpiperidin-3-yl)-1-methylazepan-4-amine
CID 65070247

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine?
The IUPAC name of N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine (CID 114128506) is N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine.
What is the SMILES notation for N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine?
The canonical SMILES for N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine is FC(F)COCCN1CCCC(NC2CC2)C1.
What is the InChIKey of N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine?
The InChIKey is GLKVYPXYZUGFMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F2N2O/c13-12(14)9-17-7-6-16-5-1-2-11(8-16)15-10-3-4-10/h10-12,15H,1-9H2.
What are the key properties of N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine?
N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine has a molecular weight of 248.32 g/mol, XLogP of 1.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-(2,2-difluoroethoxy)ethyl]piperidin-3-amine is sourced from PubChem (CID 114128506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).