N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine

C19H24FN3S — CID 130453415

IUPACN-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine
SMILESFC1(CNC2CC2c2nccs2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24FN3S/c20-19(14-22-17-12-16(17)18-21-8-11-24-18)6-9-23(10-7-19)13-15-4-2-1-3-5-15/h1-5,8,11,16-17,22H,6-7,9-10,12-14H2
InChIKeyMKYIWRICFUENNF-UHFFFAOYSA-N
MW345.49 g/mol
LogP3.59
Rot. Bonds6

About N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine

N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine (PubChem CID 130453415) has the molecular formula C19H24FN3S and a molecular weight of 345.49 g/mol. Its IUPAC name is N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine.

Molecular Properties

Compound NameN-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine
PubChem CID130453415
Molecular FormulaC19H24FN3S
Molecular Weight345.49 g/mol
Exact Mass345.17
IUPAC NameN-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine
SMILESFC1(CNC2CC2c2nccs2)CCN(Cc2ccccc2)CC1
InChIInChI=1S/C19H24FN3S/c20-19(14-22-17-12-16(17)18-21-8-11-24-18)6-9-23(10-7-19)13-15-4-2-1-3-5-15/h1-5,8,11,16-17,22H,6-7,9-10,12-14H2
InChIKeyMKYIWRICFUENNF-UHFFFAOYSA-N
XLogP3.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine?
The IUPAC name of N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine (CID 130453415) is N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine.
What is the SMILES notation for N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine?
The canonical SMILES for N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine is FC1(CNC2CC2c2nccs2)CCN(Cc2ccccc2)CC1.
What is the InChIKey of N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine?
The InChIKey is MKYIWRICFUENNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN3S/c20-19(14-22-17-12-16(17)18-21-8-11-24-18)6-9-23(10-7-19)13-15-4-2-1-3-5-15/h1-5,8,11,16-17,22H,6-7,9-10,12-14H2.
What are the key properties of N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine?
N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine has a molecular weight of 345.49 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-4-fluoropiperidin-4-yl)methyl]-2-(1,3-thiazol-2-yl)cyclopropan-1-amine is sourced from PubChem (CID 130453415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).