N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine

C17H25FN2O — CID 171620426

IUPACN-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine
SMILESFc1ccc(CNCC2CCNCC2)c(OCC2CC2)c1
InChIInChI=1S/C17H25FN2O/c18-16-4-3-15(17(9-16)21-12-14-1-2-14)11-20-10-13-5-7-19-8-6-13/h3-4,9,13-14,19-20H,1-2,5-8,10-12H2
InChIKeyQUPXQNQODJLITC-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.70
Rot. Bonds7

About N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine

N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine (PubChem CID 171620426) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine
PubChem CID171620426
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine
SMILESFc1ccc(CNCC2CCNCC2)c(OCC2CC2)c1
InChIInChI=1S/C17H25FN2O/c18-16-4-3-15(17(9-16)21-12-14-1-2-14)11-20-10-13-5-7-19-8-6-13/h3-4,9,13-14,19-20H,1-2,5-8,10-12H2
InChIKeyQUPXQNQODJLITC-UHFFFAOYSA-N
XLogP2.70
TPSA33.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine with MolForge

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Related Compounds

N-[(2,4-difluorophenyl)methyl]-1-piperidin-4-ylmethanamine
CID 79707069
N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 171620321
N-[[2-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17155048
N-[[5-chloro-2-(cyclopropylmethoxy)phenyl]methyl]-1-[(3R)-pyrrolidin-3-yl]methanamine;hydrochloride
CID 171620502
N-[[4-chloro-2-(2-methoxyethoxy)phenyl]methyl]-1-piperidin-4-ylmethanamine;ethane
CID 171620367
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine
CID 66538161
N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 171620349
1-cyclopentyl-N-[(2,4-difluorophenyl)methyl]methanamine
CID 43317286
2-[(piperidin-4-ylmethylamino)methyl]phenol
CID 114331586
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620346
4-[[4-fluoro-2-(4-fluorophenoxy)phenyl]methyl]piperidine
CID 18669392
4-[(2,4-difluorophenyl)methoxymethyl]piperidine;hydrochloride
CID 56831224

Frequently Asked Questions

What is the IUPAC name of N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine (CID 171620426) is N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine is Fc1ccc(CNCC2CCNCC2)c(OCC2CC2)c1.
What is the InChIKey of N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is QUPXQNQODJLITC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c18-16-4-3-15(17(9-16)21-12-14-1-2-14)11-20-10-13-5-7-19-8-6-13/h3-4,9,13-14,19-20H,1-2,5-8,10-12H2.
What are the key properties of N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine?
N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 292.40 g/mol, XLogP of 2.70, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(cyclopropylmethoxy)-4-fluorophenyl]methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 171620426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).