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

C15H23FN2 — CID 63649779

IUPAC1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-12-3-4-14(9-15(12)16)11-18-7-5-13(6-8-18)10-17-2/h3-4,9,13,17H,5-8,10-11H2,1-2H3
InChIKeyCVISITLECBPTLN-UHFFFAOYSA-N
MW250.36 g/mol
LogP2.57
Rot. Bonds4

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

1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine (PubChem CID 63649779) has the molecular formula C15H23FN2 and a molecular weight of 250.36 g/mol. Its IUPAC name is 1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
PubChem CID63649779
Molecular FormulaC15H23FN2
Molecular Weight250.36 g/mol
Exact Mass250.18
IUPAC Name1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine
SMILESCNCC1CCN(Cc2ccc(C)c(F)c2)CC1
InChIInChI=1S/C15H23FN2/c1-12-3-4-14(9-15(12)16)11-18-7-5-13(6-8-18)10-17-2/h3-4,9,13,17H,5-8,10-11H2,1-2H3
InChIKeyCVISITLECBPTLN-UHFFFAOYSA-N
XLogP2.57
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.36
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-[(4-bromo-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine
CID 81437105
2-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]acetic acid
CID 79606523
(3S)-1-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-3-ol
CID 103883025
1-ethyl-4-[(3-fluoro-4-methylphenyl)methyl]piperazine
CID 122520466
1-[1-[(4-methoxy-3-methylphenyl)methyl]pyrrolidin-3-yl]-N-methylmethanamine
CID 55168856
2-[1-[(4-ethoxy-3-fluorophenyl)methyl]piperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120843504
N-[[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 82919208
N-methyl-1-[1-[(1-methyl-2,3-dihydroindol-5-yl)methyl]piperidin-4-yl]methanamine
CID 63250976
[1-[(4-fluoro-3-methylphenyl)methyl]piperidin-4-yl]methanamine
CID 62122086
ethane;1-[1-[(2-fluorophenyl)methyl]piperidin-4-yl]-N-methylmethanamine;hydrate
CID 145081526
1-[(3-fluoro-4-methylphenyl)methyl]-3,3-dimethylpiperidin-4-amine;hydrochloride
CID 120782066
3-[[4-(methylaminomethyl)piperidin-1-yl]methyl]benzonitrile
CID 63251060

Frequently Asked Questions

What is the IUPAC name of 1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The IUPAC name of 1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine (CID 63649779) is 1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The canonical SMILES for 1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine is CNCC1CCN(Cc2ccc(C)c(F)c2)CC1.
What is the InChIKey of 1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
The InChIKey is CVISITLECBPTLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2/c1-12-3-4-14(9-15(12)16)11-18-7-5-13(6-8-18)10-17-2/h3-4,9,13,17H,5-8,10-11H2,1-2H3.
What are the key properties of 1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine?
1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine has a molecular weight of 250.36 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[(3-fluoro-4-methylphenyl)methyl]piperidin-4-yl]-N-methylmethanamine is sourced from PubChem (CID 63649779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).