4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline

C17H26FN3 — CID 61216485

IUPAC4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline
SMILESNc1ccc(F)cc1CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H26FN3/c18-15-4-5-17(19)14(12-15)13-20-10-6-16(7-11-20)21-8-2-1-3-9-21/h4-5,12,16H,1-3,6-11,13,19H2
InChIKeyAWHJUFMTLQRZGJ-UHFFFAOYSA-N
MW291.41 g/mol
LogP2.86
Rot. Bonds3

About 4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline

4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline (PubChem CID 61216485) has the molecular formula C17H26FN3 and a molecular weight of 291.41 g/mol. Its IUPAC name is 4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline.

Molecular Properties

Compound Name4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline
PubChem CID61216485
Molecular FormulaC17H26FN3
Molecular Weight291.41 g/mol
Exact Mass291.21
IUPAC Name4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline
SMILESNc1ccc(F)cc1CN1CCC(N2CCCCC2)CC1
InChIInChI=1S/C17H26FN3/c18-15-4-5-17(19)14(12-15)13-20-10-6-16(7-11-20)21-8-2-1-3-9-21/h4-5,12,16H,1-3,6-11,13,19H2
InChIKeyAWHJUFMTLQRZGJ-UHFFFAOYSA-N
XLogP2.86
TPSA32.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.41
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[5-fluoro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]phenyl]methanamine
CID 63289543
4-chloro-2-[(3-piperidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 79583365
1-[1-[(2-amino-5-fluorophenyl)methyl]piperidin-4-yl]ethanol
CID 106835532
2-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-ylmethyl)-5-fluoroaniline
CID 79931916
1-[(2-amino-5-fluorophenyl)methyl]-4-methylazepan-4-ol
CID 107403847
2-[(4-ethyl-4-methylpiperidin-1-yl)methyl]-4-fluoroaniline
CID 63156387
3-fluoro-4-[(3-pyrrolidin-1-ylpyrrolidin-1-yl)methyl]aniline
CID 64768274
(2-amino-5-fluorophenyl)-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 61042349
1-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methyl]-4-pyrrolidin-1-ylpiperidine
CID 46977040
[4-fluoro-2-(piperidin-1-ylmethyl)phenyl]methanamine
CID 64768327
5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)aniline
CID 63168620
[5-fluoro-2-(3-piperidin-1-ylpyrrolidin-1-yl)phenyl]methanamine
CID 63170949

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline?
The IUPAC name of 4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline (CID 61216485) is 4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline.
What is the SMILES notation for 4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline?
The canonical SMILES for 4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline is Nc1ccc(F)cc1CN1CCC(N2CCCCC2)CC1.
What is the InChIKey of 4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline?
The InChIKey is AWHJUFMTLQRZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN3/c18-15-4-5-17(19)14(12-15)13-20-10-6-16(7-11-20)21-8-2-1-3-9-21/h4-5,12,16H,1-3,6-11,13,19H2.
What are the key properties of 4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline?
4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline has a molecular weight of 291.41 g/mol, XLogP of 2.86, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(4-piperidin-1-ylpiperidin-1-yl)methyl]aniline is sourced from PubChem (CID 61216485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).