N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

C16H24FN3 — CID 106624899

IUPACN-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCC(c1ccc(F)cn1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H24FN3/c1-12(16-7-4-14(17)10-19-16)20(15-5-6-15)11-13-3-2-8-18-9-13/h4,7,10,12-13,15,18H,2-3,5-6,8-9,11H2,1H3
InChIKeyQIBWPMUXVQPYTE-UHFFFAOYSA-N
MW277.39 g/mol
LogP2.75
Rot. Bonds5

About N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine

N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (PubChem CID 106624899) has the molecular formula C16H24FN3 and a molecular weight of 277.39 g/mol. Its IUPAC name is N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
PubChem CID106624899
Molecular FormulaC16H24FN3
Molecular Weight277.39 g/mol
Exact Mass277.20
IUPAC NameN-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
SMILESCC(c1ccc(F)cn1)N(CC1CCCNC1)C1CC1
InChIInChI=1S/C16H24FN3/c1-12(16-7-4-14(17)10-19-16)20(15-5-6-15)11-13-3-2-8-18-9-13/h4,7,10,12-13,15,18H,2-3,5-6,8-9,11H2,1H3
InChIKeyQIBWPMUXVQPYTE-UHFFFAOYSA-N
XLogP2.75
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.39
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106642977
N-[1-(4-methylsulfanylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624965
N-ethyl-5-fluoro-N-(piperidin-3-ylmethyl)pyridin-2-amine
CID 106643283
N-(piperidin-3-ylmethyl)-N-[1-(1,3-thiazol-2-yl)ethyl]cyclopropanamine
CID 106624840
N-[1-(3,4-dimethylphenyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine
CID 106624967
N-(piperidin-3-ylmethyl)-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 106625018
N-methyl-N-(piperidin-3-ylmethyl)-1-pyridin-2-ylethanamine
CID 71637592
1-(4-fluorophenyl)-N,2-dimethyl-N-(piperidin-3-ylmethyl)propan-1-amine
CID 120849617
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106603963
N-[1-(5-fluoro-2-pyridinyl)propyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621639
1-(4-fluorophenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine
CID 106623943
3-[cyclobutylmethyl(methyl)amino]-1-(5-fluoro-2-pyridinyl)-2-methylpropan-1-ol
CID 112586409

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The IUPAC name of N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine (CID 106624899) is N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is CC(c1ccc(F)cn1)N(CC1CCCNC1)C1CC1.
What is the InChIKey of N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
The InChIKey is QIBWPMUXVQPYTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3/c1-12(16-7-4-14(17)10-19-16)20(15-5-6-15)11-13-3-2-8-18-9-13/h4,7,10,12-13,15,18H,2-3,5-6,8-9,11H2,1H3.
What are the key properties of N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine?
N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine has a molecular weight of 277.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-fluoro-2-pyridinyl)ethyl]-N-(piperidin-3-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106624899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).