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N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine

C26H29FN2 — CID 130453536

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPACN-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESFC1(CNC2CC2c2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H29FN2/c27-26(19-28-25-17-24(25)22-7-2-1-3-8-22)12-14-29(15-13-26)18-20-10-11-21-6-4-5-9-23(21)16-20/h1-11,16,24-25,28H,12-15,17-19H2
InChIKeyXYWOWZOWZMZFJW-UHFFFAOYSA-N
MW388.53 g/mol
LogP5.29
Rot. Bonds6

About N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine

N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (PubChem CID 130453536) has the molecular formula C26H29FN2 and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.

Molecular Properties

Compound NameN-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
PubChem CID130453536
Molecular FormulaC26H29FN2
Molecular Weight388.53 g/mol
Exact Mass388.23
IUPAC NameN-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine
SMILESFC1(CNC2CC2c2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H29FN2/c27-26(19-28-25-17-24(25)22-7-2-1-3-8-22)12-14-29(15-13-26)18-20-10-11-21-6-4-5-9-23(21)16-20/h1-11,16,24-25,28H,12-15,17-19H2
InChIKeyXYWOWZOWZMZFJW-UHFFFAOYSA-N
XLogP5.29
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The IUPAC name of N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine (CID 130453536) is N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine.
What is the SMILES notation for N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The canonical SMILES for N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is FC1(CNC2CC2c2ccccc2)CCN(Cc2ccc3ccccc3c2)CC1.
What is the InChIKey of N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
The InChIKey is XYWOWZOWZMZFJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN2/c27-26(19-28-25-17-24(25)22-7-2-1-3-8-22)12-14-29(15-13-26)18-20-10-11-21-6-4-5-9-23(21)16-20/h1-11,16,24-25,28H,12-15,17-19H2.
What are the key properties of N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine?
N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine has a molecular weight of 388.53 g/mol, XLogP of 5.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-fluoro-1-(naphthalen-2-ylmethyl)piperidin-4-yl]methyl]-2-phenylcyclopropan-1-amine is sourced from PubChem (CID 130453536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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