(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine

C18H24N2O — CID 81392851

IUPAC(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C18H24N2O/c1-15(18-6-5-13-21-18)19-14-16-7-9-17(10-8-16)20-11-3-2-4-12-20/h5-10,13,15,19H,2-4,11-12,14H2,1H3/t15-/m1/s1
InChIKeyIZUCJRGLNSQXBH-OAHLLOKOSA-N
MW284.40 g/mol
LogP4.12
Rot. Bonds5

About (1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine

(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine (PubChem CID 81392851) has the molecular formula C18H24N2O and a molecular weight of 284.40 g/mol. Its IUPAC name is (1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine.

Molecular Properties

Compound Name(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
PubChem CID81392851
Molecular FormulaC18H24N2O
Molecular Weight284.40 g/mol
Exact Mass284.19
IUPAC Name(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine
SMILESC[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccco1
InChIInChI=1S/C18H24N2O/c1-15(18-6-5-13-21-18)19-14-16-7-9-17(10-8-16)20-11-3-2-4-12-20/h5-10,13,15,19H,2-4,11-12,14H2,1H3/t15-/m1/s1
InChIKeyIZUCJRGLNSQXBH-OAHLLOKOSA-N
XLogP4.12
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

(1R)-1-(furan-2-yl)-N-[(4-morpholin-4-ylphenyl)methyl]ethanamine
CID 81391853
N-[(4-piperidin-1-ylphenyl)methyl]propan-2-amine
CID 7060595
(1S)-N-[(4-cyclopropylphenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81403532
N-[(4-fluorophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 43178684
(1R)-1-(furan-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 51675922
1-(furan-2-yl)-N-[(4-trimethylsilylphenyl)methyl]ethanamine
CID 103437580
2-(furan-2-yl)-1-[(4-piperidin-1-ylphenyl)methylamino]propan-2-ol
CID 111468727
(1R)-1-(furan-2-yl)-N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]ethanamine
CID 81402693
3-methyl-2-[(4-piperidin-1-ylphenyl)methylamino]butan-1-ol
CID 79254755
1-pyridin-3-yl-N-[(4-pyrrolidin-1-ylphenyl)methyl]ethanamine
CID 43768120
2-[[(1S)-1-(furan-2-yl)ethyl]amino]-1-pyrrolidin-1-ylethanone
CID 81400744
N,N-diethyl-4-[[[(1R)-1-(furan-2-yl)ethyl]amino]methyl]aniline
CID 81403321

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
The IUPAC name of (1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine (CID 81392851) is (1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine.
What is the SMILES notation for (1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
The canonical SMILES for (1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine is C[C@@H](NCc1ccc(N2CCCCC2)cc1)c1ccco1.
What is the InChIKey of (1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
The InChIKey is IZUCJRGLNSQXBH-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H24N2O/c1-15(18-6-5-13-21-18)19-14-16-7-9-17(10-8-16)20-11-3-2-4-12-20/h5-10,13,15,19H,2-4,11-12,14H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine?
(1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine has a molecular weight of 284.40 g/mol, XLogP of 4.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(furan-2-yl)-N-[(4-piperidin-1-ylphenyl)methyl]ethanamine is sourced from PubChem (CID 81392851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).