1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine

C19H23BrN2O — CID 170453704

IUPAC1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2ccc(Br)cc2Oc2ccccc2)CC1
InChIInChI=1S/C19H23BrN2O/c1-21-17-9-11-22(12-10-17)14-15-7-8-16(20)13-19(15)23-18-5-3-2-4-6-18/h2-8,13,17,21H,9-12,14H2,1H3
InChIKeyVKUUNLFVBVJZRV-UHFFFAOYSA-N
MW375.31 g/mol
LogP4.43
Rot. Bonds5

About 1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine

1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine (PubChem CID 170453704) has the molecular formula C19H23BrN2O and a molecular weight of 375.31 g/mol. Its IUPAC name is 1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine.

Molecular Properties

Compound Name1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine
PubChem CID170453704
Molecular FormulaC19H23BrN2O
Molecular Weight375.31 g/mol
Exact Mass374.10
IUPAC Name1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine
SMILESCNC1CCN(Cc2ccc(Br)cc2Oc2ccccc2)CC1
InChIInChI=1S/C19H23BrN2O/c1-21-17-9-11-22(12-10-17)14-15-7-8-16(20)13-19(15)23-18-5-3-2-4-6-18/h2-8,13,17,21H,9-12,14H2,1H3
InChIKeyVKUUNLFVBVJZRV-UHFFFAOYSA-N
XLogP4.43
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.31
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-bromo-2-phenoxyphenyl)methyl]pyrrolidin-3-amine;hydrochloride
CID 170456534
1-[(4-bromo-2-phenoxyphenyl)methyl]-4-(2,2,2-trifluoroethyl)piperazine
CID 170453683
3-[5-bromo-2-(piperidin-1-ylmethyl)phenoxy]pyridine
CID 68851049
1-benzyl-N-methylpiperidin-4-amine
CID 4136128
1-[(4-bromophenyl)methyl]-N-methylpiperidin-4-amine;hydrochloride
CID 119923471
1-[(2-ethylphenyl)methyl]-N-methylpiperidin-4-amine
CID 64694673
N-(4-bromophenyl)-1-[(2,4-dimethoxyphenyl)methyl]piperidin-4-amine
CID 7346256
1-[(5-bromo-2-methoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1360129
1-[4-bromo-2-(3-ethoxyphenoxy)phenyl]-N-methylmethanamine
CID 62336542
1-[(5-bromo-2-methoxyphenyl)methyl]azetidine
CID 130159732
N-methyl-1-(naphthalen-2-ylmethyl)piperidin-4-amine;hydrochloride
CID 119923658
1-[(5-bromo-2-methoxyphenyl)methyl]-4-ethylpiperidine
CID 63456658

Frequently Asked Questions

What is the IUPAC name of 1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine?
The IUPAC name of 1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine (CID 170453704) is 1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine.
What is the SMILES notation for 1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine?
The canonical SMILES for 1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine is CNC1CCN(Cc2ccc(Br)cc2Oc2ccccc2)CC1.
What is the InChIKey of 1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine?
The InChIKey is VKUUNLFVBVJZRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN2O/c1-21-17-9-11-22(12-10-17)14-15-7-8-16(20)13-19(15)23-18-5-3-2-4-6-18/h2-8,13,17,21H,9-12,14H2,1H3.
What are the key properties of 1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine?
1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine has a molecular weight of 375.31 g/mol, XLogP of 4.43, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-bromo-2-phenoxyphenyl)methyl]-N-methylpiperidin-4-amine is sourced from PubChem (CID 170453704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).