(2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine

C15H20F2N2 — CID 138723133

IUPAC(2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
SMILESFc1ccc(F)c([C@H]2CC2NCC2CCNCC2)c1
InChIInChI=1S/C15H20F2N2/c16-11-1-2-14(17)12(7-11)13-8-15(13)19-9-10-3-5-18-6-4-10/h1-2,7,10,13,15,18-19H,3-6,8-9H2/t13-,15?/m1/s1
InChIKeyISFWBCQYINRHRW-AFYYWNPRSA-N
MW266.33 g/mol
LogP2.41
Rot. Bonds4

About (2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine

(2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine (PubChem CID 138723133) has the molecular formula C15H20F2N2 and a molecular weight of 266.33 g/mol. Its IUPAC name is (2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine.

Molecular Properties

Compound Name(2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
PubChem CID138723133
Molecular FormulaC15H20F2N2
Molecular Weight266.33 g/mol
Exact Mass266.16
IUPAC Name(2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine
SMILESFc1ccc(F)c([C@H]2CC2NCC2CCNCC2)c1
InChIInChI=1S/C15H20F2N2/c16-11-1-2-14(17)12(7-11)13-8-15(13)19-9-10-3-5-18-6-4-10/h1-2,7,10,13,15,18-19H,3-6,8-9H2/t13-,15?/m1/s1
InChIKeyISFWBCQYINRHRW-AFYYWNPRSA-N
XLogP2.41
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.33
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The IUPAC name of (2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine (CID 138723133) is (2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine.
What is the SMILES notation for (2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The canonical SMILES for (2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine is Fc1ccc(F)c([C@H]2CC2NCC2CCNCC2)c1.
What is the InChIKey of (2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
The InChIKey is ISFWBCQYINRHRW-AFYYWNPRSA-N. The full InChI is InChI=1S/C15H20F2N2/c16-11-1-2-14(17)12(7-11)13-8-15(13)19-9-10-3-5-18-6-4-10/h1-2,7,10,13,15,18-19H,3-6,8-9H2/t13-,15?/m1/s1.
What are the key properties of (2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine?
(2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine has a molecular weight of 266.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,5-difluorophenyl)-N-(piperidin-4-ylmethyl)cyclopropan-1-amine is sourced from PubChem (CID 138723133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).