[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine

C14H21FN2 — CID 62122086

IUPAC[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
SMILESCc1cc(CN2CCC(CN)CC2)ccc1F
InChIInChI=1S/C14H21FN2/c1-11-8-13(2-3-14(11)15)10-17-6-4-12(9-16)5-7-17/h2-3,8,12H,4-7,9-10,16H2,1H3
InChIKeySPTWGDITPMSKSJ-UHFFFAOYSA-N
MW236.33 g/mol
LogP2.30
Rot. Bonds3

About [1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine

[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine (PubChem CID 62122086) has the molecular formula C14H21FN2 and a molecular weight of 236.33 g/mol. Its IUPAC name is [1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine.

Molecular Properties

Compound Name[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
PubChem CID62122086
Molecular FormulaC14H21FN2
Molecular Weight236.33 g/mol
Exact Mass236.17
IUPAC Name[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
SMILESCc1cc(CN2CCC(CN)CC2)ccc1F
InChIInChI=1S/C14H21FN2/c1-11-8-13(2-3-14(11)15)10-17-6-4-12(9-16)5-7-17/h2-3,8,12H,4-7,9-10,16H2,1H3
InChIKeySPTWGDITPMSKSJ-UHFFFAOYSA-N
XLogP2.30
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.33
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]oxypropan-1-amine
CID 79732218
[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]methanamine
CID 67492267
[5-[(4-ethylpiperidin-1-yl)methyl]-2-fluorophenyl]methanamine
CID 107878208
[1-[(3-bromo-4-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine;hydrochloride
CID 119917749
2-amino-1-[4-[(4-fluoro-3-methylphenyl)methyl]piperazin-1-yl]ethanone
CID 82486701
2-[1-[(3-chloro-4-methylphenyl)methyl]piperidin-4-yl]ethanamine
CID 106817832
[2-fluoro-5-[(4-propylpiperidin-1-yl)methyl]phenyl]methanamine
CID 107878369
4-[(4-ethylpiperidin-1-yl)methyl]-2-methylaniline
CID 61421994
[1-[(4-bromo-3-fluorophenyl)methyl]pyrrolidin-3-yl]methanamine
CID 81436670
1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 63649779
[1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-4-yl]methanamine
CID 55209715
[1-[(3-bromo-4-chlorophenyl)methyl]piperidin-4-yl]methanamine
CID 83230630

Frequently Asked Questions

What is the IUPAC name of [1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine?
The IUPAC name of [1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine (CID 62122086) is [1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine.
What is the SMILES notation for [1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine?
The canonical SMILES for [1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine is Cc1cc(CN2CCC(CN)CC2)ccc1F.
What is the InChIKey of [1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine?
The InChIKey is SPTWGDITPMSKSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2/c1-11-8-13(2-3-14(11)15)10-17-6-4-12(9-16)5-7-17/h2-3,8,12H,4-7,9-10,16H2,1H3.
What are the key properties of [1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine?
[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine has a molecular weight of 236.33 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine is sourced from PubChem (CID 62122086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).