N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

C16H25FN4 — CID 105388892

IUPACN-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCCCN1CCN(c2nccc(CNC3CC3)c2F)CC1
InChIInChI=1S/C16H25FN4/c1-2-7-20-8-10-21(11-9-20)16-15(17)13(5-6-18-16)12-19-14-3-4-14/h5-6,14,19H,2-4,7-12H2,1H3
InChIKeyMQJBTTRLLGGMPY-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.00
Rot. Bonds6

About N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine

N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (PubChem CID 105388892) has the molecular formula C16H25FN4 and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
PubChem CID105388892
Molecular FormulaC16H25FN4
Molecular Weight292.40 g/mol
Exact Mass292.21
IUPAC NameN-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine
SMILESCCCN1CCN(c2nccc(CNC3CC3)c2F)CC1
InChIInChI=1S/C16H25FN4/c1-2-7-20-8-10-21(11-9-20)16-15(17)13(5-6-18-16)12-19-14-3-4-14/h5-6,14,19H,2-4,7-12H2,1H3
InChIKeyMQJBTTRLLGGMPY-UHFFFAOYSA-N
XLogP2.00
TPSA31.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine (CID 105388892) is N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is CCCN1CCN(c2nccc(CNC3CC3)c2F)CC1.
What is the InChIKey of N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
The InChIKey is MQJBTTRLLGGMPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25FN4/c1-2-7-20-8-10-21(11-9-20)16-15(17)13(5-6-18-16)12-19-14-3-4-14/h5-6,14,19H,2-4,7-12H2,1H3.
What are the key properties of N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine?
N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine has a molecular weight of 292.40 g/mol, XLogP of 2.00, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-2-(4-propylpiperazin-1-yl)-4-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 105388892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).