N-benzyl-3-fluoro-4-piperidin-1-ylaniline

C18H21FN2 — CID 70256130

IUPACN-benzyl-3-fluoro-4-piperidin-1-ylaniline
SMILESFc1cc(NCc2ccccc2)ccc1N1CCCCC1
InChIInChI=1S/C18H21FN2/c19-17-13-16(20-14-15-7-3-1-4-8-15)9-10-18(17)21-11-5-2-6-12-21/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2
InChIKeyOLOHYLQAJGWYDR-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.43
Rot. Bonds4

About N-benzyl-3-fluoro-4-piperidin-1-ylaniline

N-benzyl-3-fluoro-4-piperidin-1-ylaniline (PubChem CID 70256130) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-benzyl-3-fluoro-4-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-benzyl-3-fluoro-4-piperidin-1-ylaniline
PubChem CID70256130
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-benzyl-3-fluoro-4-piperidin-1-ylaniline
SMILESFc1cc(NCc2ccccc2)ccc1N1CCCCC1
InChIInChI=1S/C18H21FN2/c19-17-13-16(20-14-15-7-3-1-4-8-15)9-10-18(17)21-11-5-2-6-12-21/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2
InChIKeyOLOHYLQAJGWYDR-UHFFFAOYSA-N
XLogP4.43
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-benzyl-3,4-difluoroaniline
CID 21321396
N-benzyl-4-pyrrolidin-1-ylaniline
CID 918774
N-[(5-bromofuran-2-yl)methyl]-3-fluoro-4-pyrrolidin-1-ylaniline
CID 60935863
5-[(3-fluoro-4-pyrrolidin-1-ylanilino)methyl]furan-2-carbonitrile
CID 115743234
N-benzyl-3-(piperidin-1-ylmethyl)aniline
CID 59121183
N-[4-(azepan-1-yl)-3-fluorophenyl]acetamide
CID 155741497
N-[(3-bromophenyl)methyl]-3-chloro-4-pyrrolidin-1-ylaniline
CID 19644384
3-fluoro-N-(piperidin-4-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 79707391
N-(3-fluoro-4-pyrrolidin-1-ylphenyl)formamide
CID 64992307
3-chloro-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 19644356
N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline
CID 29032842
3-fluoro-N-[(4-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43762165

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-fluoro-4-piperidin-1-ylaniline?
The IUPAC name of N-benzyl-3-fluoro-4-piperidin-1-ylaniline (CID 70256130) is N-benzyl-3-fluoro-4-piperidin-1-ylaniline.
What is the SMILES notation for N-benzyl-3-fluoro-4-piperidin-1-ylaniline?
The canonical SMILES for N-benzyl-3-fluoro-4-piperidin-1-ylaniline is Fc1cc(NCc2ccccc2)ccc1N1CCCCC1.
What is the InChIKey of N-benzyl-3-fluoro-4-piperidin-1-ylaniline?
The InChIKey is OLOHYLQAJGWYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-17-13-16(20-14-15-7-3-1-4-8-15)9-10-18(17)21-11-5-2-6-12-21/h1,3-4,7-10,13,20H,2,5-6,11-12,14H2.
What are the key properties of N-benzyl-3-fluoro-4-piperidin-1-ylaniline?
N-benzyl-3-fluoro-4-piperidin-1-ylaniline has a molecular weight of 284.38 g/mol, XLogP of 4.43, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-fluoro-4-piperidin-1-ylaniline is sourced from PubChem (CID 70256130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).