(3-fluoro-1-phenylpiperidin-3-yl)methanamine

C12H17FN2 — CID 115025936

IUPAC(3-fluoro-1-phenylpiperidin-3-yl)methanamine
SMILESNCC1(F)CCCN(c2ccccc2)C1
InChIInChI=1S/C12H17FN2/c13-12(9-14)7-4-8-15(10-12)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2
InChIKeyAJPWNMUSNAIYRZ-UHFFFAOYSA-N
MW208.28 g/mol
LogP1.95
Rot. Bonds2

About (3-fluoro-1-phenylpiperidin-3-yl)methanamine

(3-fluoro-1-phenylpiperidin-3-yl)methanamine (PubChem CID 115025936) has the molecular formula C12H17FN2 and a molecular weight of 208.28 g/mol. Its IUPAC name is (3-fluoro-1-phenylpiperidin-3-yl)methanamine.

Molecular Properties

Compound Name(3-fluoro-1-phenylpiperidin-3-yl)methanamine
PubChem CID115025936
Molecular FormulaC12H17FN2
Molecular Weight208.28 g/mol
Exact Mass208.14
IUPAC Name(3-fluoro-1-phenylpiperidin-3-yl)methanamine
SMILESNCC1(F)CCCN(c2ccccc2)C1
InChIInChI=1S/C12H17FN2/c13-12(9-14)7-4-8-15(10-12)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2
InChIKeyAJPWNMUSNAIYRZ-UHFFFAOYSA-N
XLogP1.95
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[1-(4-aminophenyl)-3-fluoropiperidin-3-yl]methanol
CID 140572184
[1-(2-bromophenyl)-4-fluoroazepan-4-yl]methanamine
CID 115053446
[3-fluoro-1-(2-methylphenyl)pyrrolidin-3-yl]methanamine
CID 115025944
4-[4-(aminomethyl)-4-fluoropiperidin-1-yl]phenol
CID 115034562
[1-(4-bromophenyl)-4-fluoropiperidin-4-yl]methanamine
CID 115052415
[2-(3,3-difluoropiperidin-1-yl)phenyl]methanamine
CID 115035536
3-(azepan-1-yl)-1-phenylpiperidine-3-carboxylic acid
CID 71256546
ethane;methanol;1-phenylpiperidine
CID 177175072
2-[1-[(4-phenylpiperazin-1-yl)methyl]cyclopropyl]ethanamine
CID 65480516
[4-(4-phenylpiperazin-1-yl)oxan-4-yl]methanamine
CID 43608688
3-(aminomethyl)-1-(4-ethylphenyl)-N,N-dimethylpiperidin-3-amine
CID 117012738
3-(4-fluoro-4-methylazepan-1-yl)aniline
CID 115033481

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-1-phenylpiperidin-3-yl)methanamine?
The IUPAC name of (3-fluoro-1-phenylpiperidin-3-yl)methanamine (CID 115025936) is (3-fluoro-1-phenylpiperidin-3-yl)methanamine.
What is the SMILES notation for (3-fluoro-1-phenylpiperidin-3-yl)methanamine?
The canonical SMILES for (3-fluoro-1-phenylpiperidin-3-yl)methanamine is NCC1(F)CCCN(c2ccccc2)C1.
What is the InChIKey of (3-fluoro-1-phenylpiperidin-3-yl)methanamine?
The InChIKey is AJPWNMUSNAIYRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2/c13-12(9-14)7-4-8-15(10-12)11-5-2-1-3-6-11/h1-3,5-6H,4,7-10,14H2.
What are the key properties of (3-fluoro-1-phenylpiperidin-3-yl)methanamine?
(3-fluoro-1-phenylpiperidin-3-yl)methanamine has a molecular weight of 208.28 g/mol, XLogP of 1.95, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-1-phenylpiperidin-3-yl)methanamine is sourced from PubChem (CID 115025936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).