N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine

C16H23FN2 — CID 106621509

IUPACN-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESFc1cccc(CN(CC2CCCCN2)C2CC2)c1
InChIInChI=1S/C16H23FN2/c17-14-5-3-4-13(10-14)11-19(16-7-8-16)12-15-6-1-2-9-18-15/h3-5,10,15-16,18H,1-2,6-9,11-12H2
InChIKeyABADXIZELAJRAA-UHFFFAOYSA-N
MW262.37 g/mol
LogP2.93
Rot. Bonds5

About N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine

N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine (PubChem CID 106621509) has the molecular formula C16H23FN2 and a molecular weight of 262.37 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
PubChem CID106621509
Molecular FormulaC16H23FN2
Molecular Weight262.37 g/mol
Exact Mass262.18
IUPAC NameN-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
SMILESFc1cccc(CN(CC2CCCCN2)C2CC2)c1
InChIInChI=1S/C16H23FN2/c17-14-5-3-4-13(10-14)11-19(16-7-8-16)12-15-6-1-2-9-18-15/h3-5,10,15-16,18H,1-2,6-9,11-12H2
InChIKeyABADXIZELAJRAA-UHFFFAOYSA-N
XLogP2.93
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.37
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N,N-bis[(3-fluorophenyl)methyl]-1-[(2R)-piperidin-2-yl]methanamine
CID 95731958
N-[(3-bromo-4-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621823
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621759
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106631534
N-[(2,5-difluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 104973976
N-[(5-fluoro-2-methylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599700
2-[(3-fluorophenyl)methyl]azepane
CID 62544707
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine
CID 106621780
N-[(3-fluorophenyl)methyl]-2-methyl-N-(pyrrolidin-2-ylmethyl)propan-1-amine
CID 106605110
N-[(3,4-dimethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599047
N-[(2-chloro-3-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599665
N-ethyl-2-(3-fluorophenyl)-N-(piperidin-2-ylmethyl)acetamide
CID 106626297

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The IUPAC name of N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine (CID 106621509) is N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine is Fc1cccc(CN(CC2CCCCN2)C2CC2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
The InChIKey is ABADXIZELAJRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2/c17-14-5-3-4-13(10-14)11-19(16-7-8-16)12-15-6-1-2-9-18-15/h3-5,10,15-16,18H,1-2,6-9,11-12H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine?
N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine has a molecular weight of 262.37 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-N-(piperidin-2-ylmethyl)cyclopropanamine is sourced from PubChem (CID 106621509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).