N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine

C12H21F3N2 — CID 64565055

IUPACN-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)5-7-17-6-1-2-10(9-17)8-16-11-3-4-11/h10-11,16H,1-9H2
InChIKeyMSNNSTMZMBBFMZ-UHFFFAOYSA-N
MW250.31 g/mol
LogP2.40
Rot. Bonds5

About N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine

N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine (PubChem CID 64565055) has the molecular formula C12H21F3N2 and a molecular weight of 250.31 g/mol. Its IUPAC name is N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine
PubChem CID64565055
Molecular FormulaC12H21F3N2
Molecular Weight250.31 g/mol
Exact Mass250.17
IUPAC NameN-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine
SMILESFC(F)(F)CCN1CCCC(CNC2CC2)C1
InChIInChI=1S/C12H21F3N2/c13-12(14,15)5-7-17-6-1-2-10(9-17)8-16-11-3-4-11/h10-11,16H,1-9H2
InChIKeyMSNNSTMZMBBFMZ-UHFFFAOYSA-N
XLogP2.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine (CID 64565055) is N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine is FC(F)(F)CCN1CCCC(CNC2CC2)C1.
What is the InChIKey of N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine?
The InChIKey is MSNNSTMZMBBFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2/c13-12(14,15)5-7-17-6-1-2-10(9-17)8-16-11-3-4-11/h10-11,16H,1-9H2.
What are the key properties of N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine?
N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine has a molecular weight of 250.31 g/mol, XLogP of 2.40, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3,3,3-trifluoropropyl)piperidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 64565055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).