[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol

C24H26FNO — CID 45215680

IUPAC[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C24H26FNO/c25-23-12-4-2-8-20(23)15-24(18-27)13-6-14-26(17-24)16-21-10-5-9-19-7-1-3-11-22(19)21/h1-5,7-12,27H,6,13-18H2
InChIKeyMQQBIQQOMXLLKM-UHFFFAOYSA-N
MW363.48 g/mol
LogP4.80
Rot. Bonds5

About [3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol

[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol (PubChem CID 45215680) has the molecular formula C24H26FNO and a molecular weight of 363.48 g/mol. Its IUPAC name is [3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol
PubChem CID45215680
Molecular FormulaC24H26FNO
Molecular Weight363.48 g/mol
Exact Mass363.20
IUPAC Name[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol
SMILESOCC1(Cc2ccccc2F)CCCN(Cc2cccc3ccccc23)C1
InChIInChI=1S/C24H26FNO/c25-23-12-4-2-8-20(23)15-24(18-27)13-6-14-26(17-24)16-21-10-5-9-19-7-1-3-11-22(19)21/h1-5,7-12,27H,6,13-18H2
InChIKeyMQQBIQQOMXLLKM-UHFFFAOYSA-N
XLogP4.80
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.48
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol?
The IUPAC name of [3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol (CID 45215680) is [3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol.
What is the SMILES notation for [3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol?
The canonical SMILES for [3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol is OCC1(Cc2ccccc2F)CCCN(Cc2cccc3ccccc23)C1.
What is the InChIKey of [3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol?
The InChIKey is MQQBIQQOMXLLKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FNO/c25-23-12-4-2-8-20(23)15-24(18-27)13-6-14-26(17-24)16-21-10-5-9-19-7-1-3-11-22(19)21/h1-5,7-12,27H,6,13-18H2.
What are the key properties of [3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol?
[3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol has a molecular weight of 363.48 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-fluorophenyl)methyl]-1-(naphthalen-1-ylmethyl)piperidin-3-yl]methanol is sourced from PubChem (CID 45215680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).