1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine

C20H27FN2O — CID 26331864

IUPAC1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ccoc1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H27FN2O/c1-22(14-19-9-12-24-16-19)13-18-3-2-10-23(15-18)11-8-17-4-6-20(21)7-5-17/h4-7,9,12,16,18H,2-3,8,10-11,13-15H2,1H3/t18-/m0/s1
InChIKeyPTNZZLKXCLVTRS-SFHVURJKSA-N
MW330.45 g/mol
LogP3.81
Rot. Bonds7

About 1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine

1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine (PubChem CID 26331864) has the molecular formula C20H27FN2O and a molecular weight of 330.45 g/mol. Its IUPAC name is 1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine.

Molecular Properties

Compound Name1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine
PubChem CID26331864
Molecular FormulaC20H27FN2O
Molecular Weight330.45 g/mol
Exact Mass330.21
IUPAC Name1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine
SMILESCN(Cc1ccoc1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1
InChIInChI=1S/C20H27FN2O/c1-22(14-19-9-12-24-16-19)13-18-3-2-10-23(15-18)11-8-17-4-6-20(21)7-5-17/h4-7,9,12,16,18H,2-3,8,10-11,13-15H2,1H3/t18-/m0/s1
InChIKeyPTNZZLKXCLVTRS-SFHVURJKSA-N
XLogP3.81
TPSA19.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine?
The IUPAC name of 1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine (CID 26331864) is 1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine.
What is the SMILES notation for 1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine?
The canonical SMILES for 1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine is CN(Cc1ccoc1)C[C@@H]1CCCN(CCc2ccc(F)cc2)C1.
What is the InChIKey of 1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine?
The InChIKey is PTNZZLKXCLVTRS-SFHVURJKSA-N. The full InChI is InChI=1S/C20H27FN2O/c1-22(14-19-9-12-24-16-19)13-18-3-2-10-23(15-18)11-8-17-4-6-20(21)7-5-17/h4-7,9,12,16,18H,2-3,8,10-11,13-15H2,1H3/t18-/m0/s1.
What are the key properties of 1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine?
1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine has a molecular weight of 330.45 g/mol, XLogP of 3.81, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-1-[2-(4-fluorophenyl)ethyl]piperidin-3-yl]-N-(furan-3-ylmethyl)-N-methylmethanamine is sourced from PubChem (CID 26331864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).