N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine

C17H27BrN2O2 — CID 66538332

IUPACN-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESCCOc1cc(Br)c(CNCC2CCNCC2)cc1OCC
InChIInChI=1S/C17H27BrN2O2/c1-3-21-16-9-14(15(18)10-17(16)22-4-2)12-20-11-13-5-7-19-8-6-13/h9-10,13,19-20H,3-8,11-12H2,1-2H3
InChIKeyPONOPWOWZLXNEQ-UHFFFAOYSA-N
MW371.32 g/mol
LogP3.34
Rot. Bonds8

About N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine

N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine (PubChem CID 66538332) has the molecular formula C17H27BrN2O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine.

Molecular Properties

Compound NameN-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
PubChem CID66538332
Molecular FormulaC17H27BrN2O2
Molecular Weight371.32 g/mol
Exact Mass370.13
IUPAC NameN-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
SMILESCCOc1cc(Br)c(CNCC2CCNCC2)cc1OCC
InChIInChI=1S/C17H27BrN2O2/c1-3-21-16-9-14(15(18)10-17(16)22-4-2)12-20-11-13-5-7-19-8-6-13/h9-10,13,19-20H,3-8,11-12H2,1-2H3
InChIKeyPONOPWOWZLXNEQ-UHFFFAOYSA-N
XLogP3.34
TPSA42.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.32
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4,5-dichloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;hydrochloride
CID 171620349
N-[(4-chloro-2-ethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 171620321
N-[(3-bromo-5-ethoxy-4-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine
CID 16766052
N-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine
CID 66538134
N-[[2-bromo-4-[(2-chloro-4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-piperidin-4-ylmethanamine
CID 66538161
N-[[2-chloro-4-[(4-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-piperidin-4-ylmethanamine
CID 66537524
N-[[2-ethoxy-5-(trifluoromethyl)phenyl]methyl]-1-piperidin-4-ylmethanamine
CID 171620346
2-(2-bromo-4,5-diethoxyphenyl)-N-methyl-N-piperidin-4-ylacetamide;hydrochloride
CID 119441604
N-[(5-chloro-2-ethoxyphenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 171620401
N-[(2-bromo-5-ethoxy-4-propan-2-yloxyphenyl)methyl]ethanamine
CID 66525625
N-[(5-chloro-2-ethoxy-3-methoxyphenyl)methyl]-1-piperidin-4-ylmethanamine;dihydrochloride
CID 17159542
2-[(2-bromo-4-ethoxy-5-methoxyphenyl)methylamino]ethanol
CID 66535713

Frequently Asked Questions

What is the IUPAC name of N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine?
The IUPAC name of N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine (CID 66538332) is N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine.
What is the SMILES notation for N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine?
The canonical SMILES for N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine is CCOc1cc(Br)c(CNCC2CCNCC2)cc1OCC.
What is the InChIKey of N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine?
The InChIKey is PONOPWOWZLXNEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27BrN2O2/c1-3-21-16-9-14(15(18)10-17(16)22-4-2)12-20-11-13-5-7-19-8-6-13/h9-10,13,19-20H,3-8,11-12H2,1-2H3.
What are the key properties of N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine?
N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine has a molecular weight of 371.32 g/mol, XLogP of 3.34, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-bromo-4,5-diethoxyphenyl)methyl]-1-piperidin-4-ylmethanamine is sourced from PubChem (CID 66538332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).