(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine

C19H24FN3 — CID 29038794

IUPAC(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cccnc1)c1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C19H24FN3/c1-15(22-14-16-6-5-9-21-13-16)17-7-8-19(18(20)12-17)23-10-3-2-4-11-23/h5-9,12-13,15,22H,2-4,10-11,14H2,1H3/t15-/m1/s1
InChIKeyVUSSKOOBVHFPNF-OAHLLOKOSA-N
MW313.42 g/mol
LogP4.06
Rot. Bonds5

About (1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine

(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine (PubChem CID 29038794) has the molecular formula C19H24FN3 and a molecular weight of 313.42 g/mol. Its IUPAC name is (1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
PubChem CID29038794
Molecular FormulaC19H24FN3
Molecular Weight313.42 g/mol
Exact Mass313.20
IUPAC Name(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
SMILESC[C@@H](NCc1cccnc1)c1ccc(N2CCCCC2)c(F)c1
InChIInChI=1S/C19H24FN3/c1-15(22-14-16-6-5-9-21-13-16)17-7-8-19(18(20)12-17)23-10-3-2-4-11-23/h5-9,12-13,15,22H,2-4,10-11,14H2,1H3/t15-/m1/s1
InChIKeyVUSSKOOBVHFPNF-OAHLLOKOSA-N
XLogP4.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 29038709
1-(3-fluoro-4-methylsulfanylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 75482348
2-fluoro-4-[(1R)-1-(pyridin-3-ylmethylamino)ethyl]phenol
CID 29039016
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-1-amine
CID 29080205
N-[(1S)-1-(3-fluoro-4-piperidin-1-ylphenyl)ethyl]-3-methylbutan-1-amine
CID 28963934
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]propan-1-amine
CID 29080194
N-[(1R)-1-(3-fluoro-4-pyrrolidin-1-ylphenyl)ethyl]pentan-1-amine
CID 29064023
N-[(1S)-1-[4-(azepan-1-yl)-3-fluorophenyl]ethyl]propan-2-amine
CID 29037241
N-[(3-fluoro-4-pyrrolidin-1-ylphenyl)methyl]propan-2-amine
CID 43280276
1-[3-(azepan-1-yl)-4-fluorophenyl]-N-(pyridin-3-ylmethyl)methanamine
CID 84753243
1-(3,5-dimethylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 78950275
1-(5-fluoro-3-pyridinyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 103775385

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The IUPAC name of (1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine (CID 29038794) is (1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine.
What is the SMILES notation for (1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The canonical SMILES for (1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine is C[C@@H](NCc1cccnc1)c1ccc(N2CCCCC2)c(F)c1.
What is the InChIKey of (1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
The InChIKey is VUSSKOOBVHFPNF-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H24FN3/c1-15(22-14-16-6-5-9-21-13-16)17-7-8-19(18(20)12-17)23-10-3-2-4-11-23/h5-9,12-13,15,22H,2-4,10-11,14H2,1H3/t15-/m1/s1.
What are the key properties of (1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine?
(1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine has a molecular weight of 313.42 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(3-fluoro-4-piperidin-1-ylphenyl)-N-(pyridin-3-ylmethyl)ethanamine is sourced from PubChem (CID 29038794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).