N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine

C16H25BrN2 — CID 105401420

IUPACN-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCc1ccc(CNCC(C)N2CCCCC2)cc1Br
InChIInChI=1S/C16H25BrN2/c1-13-6-7-15(10-16(13)17)12-18-11-14(2)19-8-4-3-5-9-19/h6-7,10,14,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyXXIIYZNYXDKMBE-UHFFFAOYSA-N
MW325.29 g/mol
LogP3.72
Rot. Bonds5

About N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine

N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine (PubChem CID 105401420) has the molecular formula C16H25BrN2 and a molecular weight of 325.29 g/mol. Its IUPAC name is N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
PubChem CID105401420
Molecular FormulaC16H25BrN2
Molecular Weight325.29 g/mol
Exact Mass324.12
IUPAC NameN-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
SMILESCc1ccc(CNCC(C)N2CCCCC2)cc1Br
InChIInChI=1S/C16H25BrN2/c1-13-6-7-15(10-16(13)17)12-18-11-14(2)19-8-4-3-5-9-19/h6-7,10,14,18H,3-5,8-9,11-12H2,1-2H3
InChIKeyXXIIYZNYXDKMBE-UHFFFAOYSA-N
XLogP3.72
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 ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dimethylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899736
N-[(3,4-difluorophenyl)methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 113222770
N-[(4-chlorophenyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 54899450
(2S)-N-benzyl-2-piperidin-1-ylpropan-1-amine
CID 92753834
N-[(5-bromo-3-pyridinyl)methyl]-2-piperidin-1-ylpropan-1-amine
CID 113454150
N-[(3-bromo-4-methylphenyl)methyl]-N'-(2-methylpropyl)ethane-1,2-diamine
CID 113405445
2-piperidin-1-yl-N-[(3,4,5-trifluorophenyl)methyl]propan-1-amine
CID 63051224
2-[4-[(2-piperidin-1-ylpropylamino)methyl]phenyl]acetic acid
CID 103246515
N-[(3-bromo-4-methylphenyl)methyl]-1-pyrrolidin-1-ylpropan-2-amine
CID 112548580
N-[[3-(methoxymethyl)phenyl]methyl]-2-pyrrolidin-1-ylpropan-1-amine
CID 79033050
N-(isoquinolin-6-ylmethyl)-2-pyrrolidin-1-ylpropan-1-amine
CID 107038742
2,6-difluoro-4-[(2-piperidin-1-ylpropylamino)methyl]phenol
CID 79831124

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The IUPAC name of N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine (CID 105401420) is N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine.
What is the SMILES notation for N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The canonical SMILES for N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine is Cc1ccc(CNCC(C)N2CCCCC2)cc1Br.
What is the InChIKey of N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
The InChIKey is XXIIYZNYXDKMBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25BrN2/c1-13-6-7-15(10-16(13)17)12-18-11-14(2)19-8-4-3-5-9-19/h6-7,10,14,18H,3-5,8-9,11-12H2,1-2H3.
What are the key properties of N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine?
N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine has a molecular weight of 325.29 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromo-4-methylphenyl)methyl]-2-piperidin-1-ylpropan-1-amine is sourced from PubChem (CID 105401420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).