N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

C15H23FN2O — CID 106636991

IUPACN-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCOc1cccc(CN(C)CC2CCCNC2)c1F
InChIInChI=1S/C15H23FN2O/c1-18(10-12-5-4-8-17-9-12)11-13-6-3-7-14(19-2)15(13)16/h3,6-7,12,17H,4-5,8-11H2,1-2H3
InChIKeyOKMJCFQLEMBWLD-UHFFFAOYSA-N
MW266.36 g/mol
LogP2.27
Rot. Bonds5

About N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine

N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (PubChem CID 106636991) has the molecular formula C15H23FN2O and a molecular weight of 266.36 g/mol. Its IUPAC name is N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.

Molecular Properties

Compound NameN-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
PubChem CID106636991
Molecular FormulaC15H23FN2O
Molecular Weight266.36 g/mol
Exact Mass266.18
IUPAC NameN-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
SMILESCOc1cccc(CN(C)CC2CCCNC2)c1F
InChIInChI=1S/C15H23FN2O/c1-18(10-12-5-4-8-17-9-12)11-13-6-3-7-14(19-2)15(13)16/h3,6-7,12,17H,4-5,8-11H2,1-2H3
InChIKeyOKMJCFQLEMBWLD-UHFFFAOYSA-N
XLogP2.27
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.36
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815655
N-[(2-methoxyphenyl)methyl]-N-methyl-2-piperidin-3-ylethanamine
CID 62357207
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-morpholin-2-ylmethanamine
CID 104792890
N-[(3-fluoro-4-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815646
N-[(2,3-dichlorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine
CID 103815611
N-[(2-methoxyphenyl)methyl]-N-methyl-1-piperidin-4-ylmethanamine
CID 61417528
3-[(2-methoxyphenyl)methyl]piperidine
CID 5005916
N-[(3-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 119929453
N-[(5-chloro-2-fluorophenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120851649
N-[(2-fluoro-5-methylphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine;hydrochloride
CID 120850156
N-[[4-methoxy-3-(methoxymethyl)phenyl]methyl]-N-methyl-1-[(3S)-piperidin-3-yl]methanamine
CID 126450801
2-methoxy-6-[[piperidin-3-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106623984

Frequently Asked Questions

What is the IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The IUPAC name of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine (CID 106636991) is N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine.
What is the SMILES notation for N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The canonical SMILES for N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is COc1cccc(CN(C)CC2CCCNC2)c1F.
What is the InChIKey of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
The InChIKey is OKMJCFQLEMBWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23FN2O/c1-18(10-12-5-4-8-17-9-12)11-13-6-3-7-14(19-2)15(13)16/h3,6-7,12,17H,4-5,8-11H2,1-2H3.
What are the key properties of N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine?
N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine has a molecular weight of 266.36 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluoro-3-methoxyphenyl)methyl]-N-methyl-1-piperidin-3-ylmethanamine is sourced from PubChem (CID 106636991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).