[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine

C15H21ClF2N2O — CID 103441656

IUPAC[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(Cc2cc(Cl)ccc2OC(F)F)C(CN)C1
InChIInChI=1S/C15H21ClF2N2O/c1-10-4-5-20(13(6-10)8-19)9-11-7-12(16)2-3-14(11)21-15(17)18/h2-3,7,10,13,15H,4-6,8-9,19H2,1H3
InChIKeyUUSBJENIJMXPCN-UHFFFAOYSA-N
MW318.80 g/mol
LogP3.50
Rot. Bonds5

About [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine

[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine (PubChem CID 103441656) has the molecular formula C15H21ClF2N2O and a molecular weight of 318.80 g/mol. Its IUPAC name is [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine.

Molecular Properties

Compound Name[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
PubChem CID103441656
Molecular FormulaC15H21ClF2N2O
Molecular Weight318.80 g/mol
Exact Mass318.13
IUPAC Name[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
SMILESCC1CCN(Cc2cc(Cl)ccc2OC(F)F)C(CN)C1
InChIInChI=1S/C15H21ClF2N2O/c1-10-4-5-20(13(6-10)8-19)9-11-7-12(16)2-3-14(11)21-15(17)18/h2-3,7,10,13,15H,4-6,8-9,19H2,1H3
InChIKeyUUSBJENIJMXPCN-UHFFFAOYSA-N
XLogP3.50
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.80
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[4-(difluoromethyl)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine
CID 103440543
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]pyrrolidin-3-amine;hydrochloride
CID 119917695
N-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylcyclohexan-1-amine
CID 43433759
[1-[2-(2,5-dichlorophenyl)sulfanylethyl]-4-methylpiperidin-2-yl]methanamine
CID 103441685
(9aS)-2-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 124839827
4-chloro-2-[(2,4-dimethylpiperidin-1-yl)methyl]aniline
CID 79582479
2-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-4-methylphenol
CID 103440726
5-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-methoxyphenol
CID 103440564
1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-N-methylpiperidin-3-amine;hydrochloride
CID 119920229
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-3-methylpyrrolidin-3-yl]methanamine;hydrochloride
CID 120771938
[4-methyl-1-[[4-(trifluoromethyl)phenyl]methyl]piperidin-2-yl]methanamine
CID 103440567
4-[[2-(aminomethyl)-4-methylpiperidin-1-yl]methyl]-2-fluorophenol
CID 107692148

Frequently Asked Questions

What is the IUPAC name of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine?
The IUPAC name of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine (CID 103441656) is [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine.
What is the SMILES notation for [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine?
The canonical SMILES for [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine is CC1CCN(Cc2cc(Cl)ccc2OC(F)F)C(CN)C1.
What is the InChIKey of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine?
The InChIKey is UUSBJENIJMXPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF2N2O/c1-10-4-5-20(13(6-10)8-19)9-11-7-12(16)2-3-14(11)21-15(17)18/h2-3,7,10,13,15H,4-6,8-9,19H2,1H3.
What are the key properties of [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine?
[1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine has a molecular weight of 318.80 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[5-chloro-2-(difluoromethoxy)phenyl]methyl]-4-methylpiperidin-2-yl]methanamine is sourced from PubChem (CID 103441656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).