N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine

C12H20F2N2O — CID 103082637

IUPACN-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCOCC(F)F)CC1
InChIInChI=1S/C12H20F2N2O/c1-2-6-16-7-3-11(4-8-16)15-5-9-17-10-12(13)14/h1,11-12,15H,3-10H2
InChIKeyDULGEIDZUXUJEE-UHFFFAOYSA-N
MW246.30 g/mol
LogP0.96
Rot. Bonds7

About N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine

N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine (PubChem CID 103082637) has the molecular formula C12H20F2N2O and a molecular weight of 246.30 g/mol. Its IUPAC name is N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine.

Molecular Properties

Compound NameN-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
PubChem CID103082637
Molecular FormulaC12H20F2N2O
Molecular Weight246.30 g/mol
Exact Mass246.15
IUPAC NameN-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
SMILESC#CCN1CCC(NCCOCC(F)F)CC1
InChIInChI=1S/C12H20F2N2O/c1-2-6-16-7-3-11(4-8-16)15-5-9-17-10-12(13)14/h1,11-12,15H,3-10H2
InChIKeyDULGEIDZUXUJEE-UHFFFAOYSA-N
XLogP0.96
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.30
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-methylpropoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 115713726
N-(3-ethoxypropyl)-1-prop-2-ynylpiperidin-4-amine
CID 43765302
2-[(1-prop-2-ynylpiperidin-4-yl)amino]ethanol
CID 43774102
N-(2-phenoxyethyl)-1-prop-2-ynylpiperidin-4-amine
CID 55013087
N-(1-methoxypropan-2-yl)-1-prop-2-ynylpiperidin-4-amine
CID 43758404
N-(3-methylsulfinylbutyl)-1-prop-2-ynylpiperidin-4-amine
CID 115894458
N-[2-(4-methylpiperazin-1-yl)ethyl]-1-prop-2-ynylpiperidin-4-amine
CID 54860858
N-(3-methylsulfinylpropyl)-1-prop-2-ynylpiperidin-4-amine
CID 115721039
N-(2-ethylsulfonylethyl)-1-prop-2-ynylpiperidin-4-amine
CID 103780977
N-[2-(2,2-difluoroethoxy)ethyl]-3-methylcyclopentan-1-amine
CID 103081083
1-prop-2-ynyl-N-(2-pyridin-4-ylethyl)piperidin-4-amine
CID 54943739
N-[(1-propan-2-ylcyclopropyl)methyl]-1-prop-2-ynylpiperidin-4-amine
CID 103903238

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The IUPAC name of N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine (CID 103082637) is N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine.
What is the SMILES notation for N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The canonical SMILES for N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine is C#CCN1CCC(NCCOCC(F)F)CC1.
What is the InChIKey of N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine?
The InChIKey is DULGEIDZUXUJEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F2N2O/c1-2-6-16-7-3-11(4-8-16)15-5-9-17-10-12(13)14/h1,11-12,15H,3-10H2.
What are the key properties of N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine?
N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine has a molecular weight of 246.30 g/mol, XLogP of 0.96, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2-difluoroethoxy)ethyl]-1-prop-2-ynylpiperidin-4-amine is sourced from PubChem (CID 103082637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).