N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline

C18H21FN2 — CID 29032842

IUPACN-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline
SMILESFc1cccc(CNc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C18H21FN2/c19-16-8-6-7-15(13-16)14-20-17-9-2-3-10-18(17)21-11-4-1-5-12-21/h2-3,6-10,13,20H,1,4-5,11-12,14H2
InChIKeyKRTGDGVUTLJWIR-UHFFFAOYSA-N
MW284.38 g/mol
LogP4.43
Rot. Bonds4

About N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline

N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline (PubChem CID 29032842) has the molecular formula C18H21FN2 and a molecular weight of 284.38 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline
PubChem CID29032842
Molecular FormulaC18H21FN2
Molecular Weight284.38 g/mol
Exact Mass284.17
IUPAC NameN-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline
SMILESFc1cccc(CNc2ccccc2N2CCCCC2)c1
InChIInChI=1S/C18H21FN2/c19-16-8-6-7-15(13-16)14-20-17-9-2-3-10-18(17)21-11-4-1-5-12-21/h2-3,6-10,13,20H,1,4-5,11-12,14H2
InChIKeyKRTGDGVUTLJWIR-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

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Related Compounds

2-piperidin-1-yl-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66408273
2-N-[(3-fluorophenyl)methyl]benzene-1,2-diamine
CID 28970511
N-[(1-ethylpyrrol-3-yl)methyl]-2-piperidin-1-ylaniline
CID 66400281
N-[(1-methylpyrazol-4-yl)methyl]-2-piperidin-1-ylaniline
CID 28647376
4-[(2-pyrrolidin-1-ylanilino)methyl]benzonitrile
CID 43231332
2-[(2-pyrrolidin-1-ylanilino)methyl]phenol
CID 43684216
3-chloro-2-fluoro-N-[(3-fluorophenyl)methyl]aniline
CID 28879731
N-[(4-fluorophenyl)methyl]-2-(2-piperidin-1-ylanilino)acetamide
CID 26438085
CID 155646142
CID 155646142
N-benzyl-3-fluoro-4-piperidin-1-ylaniline
CID 70256130
5-fluoro-2-methyl-N-[(2-pyrrolidin-1-ylphenyl)methyl]aniline
CID 43764091
2-fluoro-6-[(3-fluorophenyl)methylamino]benzoic acid
CID 79522747

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline?
The IUPAC name of N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline (CID 29032842) is N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline is Fc1cccc(CNc2ccccc2N2CCCCC2)c1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline?
The InChIKey is KRTGDGVUTLJWIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2/c19-16-8-6-7-15(13-16)14-20-17-9-2-3-10-18(17)21-11-4-1-5-12-21/h2-3,6-10,13,20H,1,4-5,11-12,14H2.
What are the key properties of N-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline?
N-[(3-fluorophenyl)methyl]-2-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-[(3-fluorophenyl)methyl]-2-piperidin-1-ylaniline is sourced from PubChem (CID 29032842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).