N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine

C27H35FN2 — CID 143013107

IUPACN-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine
SMILESC=C(C)N(Cc1ccc(F)cc1)C(=C)C1(C)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C27H35FN2/c1-22(2)30(21-25-12-14-26(28)15-13-25)23(3)27(4)16-19-29(20-17-27)18-8-11-24-9-6-5-7-10-24/h5-7,9-10,12-15H,1,3,8,11,16-21H2,2,4H3
InChIKeyRCMUBZCCXWTRFN-UHFFFAOYSA-N
MW406.59 g/mol
LogP6.41
Rot. Bonds9

About N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine

N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine (PubChem CID 143013107) has the molecular formula C27H35FN2 and a molecular weight of 406.59 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine
PubChem CID143013107
Molecular FormulaC27H35FN2
Molecular Weight406.59 g/mol
Exact Mass406.28
IUPAC NameN-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine
SMILESC=C(C)N(Cc1ccc(F)cc1)C(=C)C1(C)CCN(CCCc2ccccc2)CC1
InChIInChI=1S/C27H35FN2/c1-22(2)30(21-25-12-14-26(28)15-13-25)23(3)27(4)16-19-29(20-17-27)18-8-11-24-9-6-5-7-10-24/h5-7,9-10,12-15H,1,3,8,11,16-21H2,2,4H3
InChIKeyRCMUBZCCXWTRFN-UHFFFAOYSA-N
XLogP6.41
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.59
LogP ≤ 56.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine (CID 143013107) is N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine is C=C(C)N(Cc1ccc(F)cc1)C(=C)C1(C)CCN(CCCc2ccccc2)CC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine?
The InChIKey is RCMUBZCCXWTRFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H35FN2/c1-22(2)30(21-25-12-14-26(28)15-13-25)23(3)27(4)16-19-29(20-17-27)18-8-11-24-9-6-5-7-10-24/h5-7,9-10,12-15H,1,3,8,11,16-21H2,2,4H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine?
N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine has a molecular weight of 406.59 g/mol, XLogP of 6.41, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-[1-[4-methyl-1-(3-phenylpropyl)piperidin-4-yl]ethenyl]prop-1-en-2-amine is sourced from PubChem (CID 143013107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).