N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

C15H23BrN2 — CID 79715386

IUPACN-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1cccc(Br)c1)CC1CCNCC1
InChIInChI=1S/C15H23BrN2/c1-2-18(11-13-6-8-17-9-7-13)12-14-4-3-5-15(16)10-14/h3-5,10,13,17H,2,6-9,11-12H2,1H3
InChIKeyDYDNTNXIPRAEGK-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.27
Rot. Bonds5

About N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine

N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (PubChem CID 79715386) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
PubChem CID79715386
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
SMILESCCN(Cc1cccc(Br)c1)CC1CCNCC1
InChIInChI=1S/C15H23BrN2/c1-2-18(11-13-6-8-17-9-7-13)12-14-4-3-5-15(16)10-14/h3-5,10,13,17H,2,6-9,11-12H2,1H3
InChIKeyDYDNTNXIPRAEGK-UHFFFAOYSA-N
XLogP3.27
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 103815711
N-[(3-bromo-5-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79716481
N-[(4-bromo-3-fluorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 81437108
N-[(3,5-dimethylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715176
N-[(3-fluoro-4-methylphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715680
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-[(2-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine;hydrochloride
CID 120858313
N-[(3-bromophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646761
N-[(3-chlorophenyl)methyl]-N-(piperidin-4-ylmethyl)propan-1-amine
CID 79715336
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)oxan-4-amine;hydrochloride
CID 120849541
N-[(2,6-dichlorophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79715751
N-[(3,5-dimethoxyphenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine
CID 79700398

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine (CID 79715386) is N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine is CCN(Cc1cccc(Br)c1)CC1CCNCC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
The InChIKey is DYDNTNXIPRAEGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-18(11-13-6-8-17-9-7-13)12-14-4-3-5-15(16)10-14/h3-5,10,13,17H,2,6-9,11-12H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine?
N-[(3-bromophenyl)methyl]-N-(piperidin-4-ylmethyl)ethanamine has a molecular weight of 311.27 g/mol, XLogP of 3.27, 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]-N-(piperidin-4-ylmethyl)ethanamine is sourced from PubChem (CID 79715386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).