N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine

C17H25FN2O — CID 81494890

IUPACN-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(F)cc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H25FN2O/c1-21-17-5-4-15(18)10-14(17)12-20-8-6-16(7-9-20)19-11-13-2-3-13/h4-5,10,13,16,19H,2-3,6-9,11-12H2,1H3
InChIKeyIBMRKBNHBOAJIU-UHFFFAOYSA-N
MW292.40 g/mol
LogP2.80
Rot. Bonds6

About N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine

N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine (PubChem CID 81494890) has the molecular formula C17H25FN2O and a molecular weight of 292.40 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
PubChem CID81494890
Molecular FormulaC17H25FN2O
Molecular Weight292.40 g/mol
Exact Mass292.20
IUPAC NameN-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine
SMILESCOc1ccc(F)cc1CN1CCC(NCC2CC2)CC1
InChIInChI=1S/C17H25FN2O/c1-21-17-5-4-15(18)10-14(17)12-20-8-6-16(7-9-20)19-11-13-2-3-13/h4-5,10,13,16,19H,2-3,6-9,11-12H2,1H3
InChIKeyIBMRKBNHBOAJIU-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.40
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(cyclopropylmethyl)-1-[(2-methoxy-5-methylphenyl)methyl]piperidin-4-amine
CID 81494883
N-[[1-[(2-bromo-4-fluorophenyl)methyl]piperidin-4-yl]methyl]cyclopropanamine
CID 62591864
N-(cyclopropylmethyl)-1-[(2,4,5-trifluorophenyl)methyl]piperidin-4-amine
CID 104869676
1-[(5-fluoro-2-methoxyphenyl)methyl]pyrrolidin-3-ol
CID 62917327
1-[(2-methoxy-5-methylphenyl)methyl]-N-propylpiperidin-4-amine
CID 62155983
N-(cyclopropylmethyl)-1-[(2-ethyl-4-methoxyphenyl)methyl]piperidin-4-amine
CID 120841681
N-(cyclopropylmethyl)-1-[(4-methoxy-3-nitrophenyl)methyl]piperidin-4-amine
CID 119926501
1-[(2-chlorothiophen-3-yl)methyl]-N-(cyclopropylmethyl)piperidin-4-amine
CID 120841434
[1-[(5-amino-2-methoxyphenyl)methyl]piperidin-4-yl]methanol
CID 43134614
N-(cyclopropylmethyl)-1-[[2-methyl-4-(trifluoromethyl)phenyl]methyl]piperidin-4-amine
CID 120841490
N-[[1-[(2,4-difluorophenyl)methyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513970
1-[2-(5-fluoro-2-methoxyphenyl)ethyl]piperidin-4-amine
CID 82298212

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine?
The IUPAC name of N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine (CID 81494890) is N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine.
What is the SMILES notation for N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine?
The canonical SMILES for N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine is COc1ccc(F)cc1CN1CCC(NCC2CC2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine?
The InChIKey is IBMRKBNHBOAJIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O/c1-21-17-5-4-15(18)10-14(17)12-20-8-6-16(7-9-20)19-11-13-2-3-13/h4-5,10,13,16,19H,2-3,6-9,11-12H2,1H3.
What are the key properties of N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine?
N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine has a molecular weight of 292.40 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-[(5-fluoro-2-methoxyphenyl)methyl]piperidin-4-amine is sourced from PubChem (CID 81494890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).