[4-(4-fluorophenyl)piperidin-3-yl]methanamine

C12H17FN2 — CID 82611721

IUPAC[4-(4-fluorophenyl)piperidin-3-yl]methanamine
SMILESNCC1CNCCC1c1ccc(F)cc1
InChIInChI=1S/C12H17FN2/c13-11-3-1-9(2-4-11)12-5-6-15-8-10(12)7-14/h1-4,10,12,15H,5-8,14H2
InChIKeyPXBZAIQDZUYYLQ-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.48
Rot. Bonds2

About [4-(4-fluorophenyl)piperidin-3-yl]methanamine

[4-(4-fluorophenyl)piperidin-3-yl]methanamine (PubChem CID 82611721) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is [4-(4-fluorophenyl)piperidin-3-yl]methanamine.

Molecular Properties

Compound Name[4-(4-fluorophenyl)piperidin-3-yl]methanamine
PubChem CID82611721
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name[4-(4-fluorophenyl)piperidin-3-yl]methanamine
SMILESNCC1CNCCC1c1ccc(F)cc1
InChIInChI=1S/C12H17FN2/c13-11-3-1-9(2-4-11)12-5-6-15-8-10(12)7-14/h1-4,10,12,15H,5-8,14H2
InChIKeyPXBZAIQDZUYYLQ-UHFFFAOYSA-N
XLogP1.48
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-[3-(aminomethyl)piperidin-4-yl]benzene-1,2-diol
CID 82617235
3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine
CID 19832107
[(1R,2R)-2-(4-fluorophenyl)cyclopropyl]methanamine
CID 68928221
(3S,4R)-3-[(4-tert-butylphenoxy)methyl]-4-(4-fluorophenyl)piperidine;hydrochloride
CID 67842104
(3R,4S)-4-(4-fluorophenyl)-3-[(4-methoxyphenyl)methyl]piperidine
CID 54239492
2,3-dihydroxybutanedioic acid;[(3R,4S)-4-(4-fluorophenyl)piperidin-3-yl]methanol
CID 70299524
4-[4-(aminomethyl)piperidin-3-yl]phenol
CID 82610650
1-(4-fluorophenyl)-3-[[(3S,4S)-4-(4-fluorophenyl)piperidin-3-yl]methyl]urea
CID 166237374
[3-(4-piperazin-1-ylphenyl)piperidin-4-yl]methanamine
CID 173046865
(3S,4R)-4-(4-fluorophenyl)-3-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)piperidine
CID 139721977
[(4S)-4-(4-bromophenyl)piperidin-3-yl]methanol
CID 71228209
(3S,4R)-3-(1,3-dihydro-2-benzofuran-5-yloxymethyl)-4-(4-fluorophenyl)piperidine
CID 71652161

Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)piperidin-3-yl]methanamine?
The IUPAC name of [4-(4-fluorophenyl)piperidin-3-yl]methanamine (CID 82611721) is [4-(4-fluorophenyl)piperidin-3-yl]methanamine.
What is the SMILES notation for [4-(4-fluorophenyl)piperidin-3-yl]methanamine?
The canonical SMILES for [4-(4-fluorophenyl)piperidin-3-yl]methanamine is NCC1CNCCC1c1ccc(F)cc1.
What is the InChIKey of [4-(4-fluorophenyl)piperidin-3-yl]methanamine?
The InChIKey is PXBZAIQDZUYYLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-11-3-1-9(2-4-11)12-5-6-15-8-10(12)7-14/h1-4,10,12,15H,5-8,14H2.
What are the key properties of [4-(4-fluorophenyl)piperidin-3-yl]methanamine?
[4-(4-fluorophenyl)piperidin-3-yl]methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)piperidin-3-yl]methanamine is sourced from PubChem (CID 82611721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).