N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine

C14H21FN2O — CID 137428369

IUPACN-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine
SMILESCN1CCC(F)(CNC2CC2c2ccoc2)CC1
InChIInChI=1S/C14H21FN2O/c1-17-5-3-14(15,4-6-17)10-16-13-8-12(13)11-2-7-18-9-11/h2,7,9,12-13,16H,3-6,8,10H2,1H3
InChIKeyFKLCABHNOPAKMD-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.16
Rot. Bonds4

About N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine

N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine (PubChem CID 137428369) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine
PubChem CID137428369
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC NameN-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine
SMILESCN1CCC(F)(CNC2CC2c2ccoc2)CC1
InChIInChI=1S/C14H21FN2O/c1-17-5-3-14(15,4-6-17)10-16-13-8-12(13)11-2-7-18-9-11/h2,7,9,12-13,16H,3-6,8,10H2,1H3
InChIKeyFKLCABHNOPAKMD-UHFFFAOYSA-N
XLogP2.16
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine?
The IUPAC name of N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine (CID 137428369) is N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine.
What is the SMILES notation for N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine?
The canonical SMILES for N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine is CN1CCC(F)(CNC2CC2c2ccoc2)CC1.
What is the InChIKey of N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine?
The InChIKey is FKLCABHNOPAKMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-17-5-3-14(15,4-6-17)10-16-13-8-12(13)11-2-7-18-9-11/h2,7,9,12-13,16H,3-6,8,10H2,1H3.
What are the key properties of N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine?
N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine has a molecular weight of 252.33 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluoro-1-methylpiperidin-4-yl)methyl]-2-(furan-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 137428369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).