N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine

C16H25BrN2 — CID 103614655

IUPACN-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCc2cccc(Br)c2)CC1
InChIInChI=1S/C16H25BrN2/c1-13(2)12-19-8-6-16(7-9-19)18-11-14-4-3-5-15(17)10-14/h3-5,10,13,16,18H,6-9,11-12H2,1-2H3
InChIKeyDUZGQBLPVORWDD-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.66
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine

N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine (PubChem CID 103614655) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
PubChem CID103614655
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
SMILESCC(C)CN1CCC(NCc2cccc(Br)c2)CC1
InChIInChI=1S/C16H25BrN2/c1-13(2)12-19-8-6-16(7-9-19)18-11-14-4-3-5-15(17)10-14/h3-5,10,13,16,18H,6-9,11-12H2,1-2H3
InChIKeyDUZGQBLPVORWDD-UHFFFAOYSA-N
XLogP3.66
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.29
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-1-ethylsulfonylpiperidin-4-amine
CID 29274544
N-[(3-bromophenyl)methyl]-1,2-dimethylpiperidin-4-amine
CID 79032191
N-[(2-methylphenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103614666
tert-butyl 4-[(3-bromophenyl)methylamino]piperidine-1-carboxylate;ethane
CID 143006069
N-(furan-2-ylmethyl)-1-(2-methylpropyl)piperidin-4-amine
CID 113224447
N-[(3-bromophenyl)methyl]oxepan-4-amine
CID 65081407
N-[(3-bromophenyl)methyl]azepan-4-amine
CID 103981810
N-[(3-bromophenyl)methyl]-1-cyclobutylethanamine
CID 115714631
N-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-1-(2-methylpropyl)piperidin-4-amine
CID 119106703
trans-(1S,2S)-1-N,2-N-bis[(3-bromophenyl)methyl]cyclohexane-1,2-diamine
CID 51041024
N-[3-(methoxymethyl)phenyl]-1-(2-methylpropyl)piperidin-4-amine
CID 103931159
N-[(3-bromophenyl)methyl]-1-cyclopropyl-5-methylpyrrolidin-3-amine
CID 115685137

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The IUPAC name of N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine (CID 103614655) is N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine is CC(C)CN1CCC(NCc2cccc(Br)c2)CC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
The InChIKey is DUZGQBLPVORWDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13(2)12-19-8-6-16(7-9-19)18-11-14-4-3-5-15(17)10-14/h3-5,10,13,16,18H,6-9,11-12H2,1-2H3.
What are the key properties of N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine?
N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine has a molecular weight of 325.29 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromophenyl)methyl]-1-(2-methylpropyl)piperidin-4-amine is sourced from PubChem (CID 103614655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).