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

C15H23BrN2 — CID 103815711

IUPACN-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1cccc(Br)c1)CC1CCCNC1
InChIInChI=1S/C15H23BrN2/c1-2-18(12-14-6-4-8-17-10-14)11-13-5-3-7-15(16)9-13/h3,5,7,9,14,17H,2,4,6,8,10-12H2,1H3
InChIKeyNAQBPZKTAPZKKI-UHFFFAOYSA-N
MW311.27 g/mol
LogP3.27
Rot. Bonds5

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

N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (PubChem CID 103815711) has the molecular formula C15H23BrN2 and a molecular weight of 311.27 g/mol. Its IUPAC name is N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.

Molecular Properties

Compound NameN-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
PubChem CID103815711
Molecular FormulaC15H23BrN2
Molecular Weight311.27 g/mol
Exact Mass310.10
IUPAC NameN-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
SMILESCCN(Cc1cccc(Br)c1)CC1CCCNC1
InChIInChI=1S/C15H23BrN2/c1-2-18(12-14-6-4-8-17-10-14)11-13-5-3-7-15(16)9-13/h3,5,7,9,14,17H,2,4,6,8,10-12H2,1H3
InChIKeyNAQBPZKTAPZKKI-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-4-ylmethyl)ethanamine
CID 79715386
N-[(4-ethylphenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624684
N-[(4-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624468
N-[(3-bromo-5-nitrophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106638317
N-benzyl-N-[[(3S)-pyrrolidin-3-yl]methyl]ethanamine
CID 86323590
N-benzyl-N-[[(3S)-piperidin-3-yl]methyl]propan-1-amine
CID 129381793
N-[[3-(difluoromethyl)phenyl]methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625184
4-[[ethyl(piperidin-3-ylmethyl)amino]methyl]pyridine-2-carbonitrile
CID 106638546
N-[(2,3-difluorophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624705
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380
N-[(3-bromophenyl)methyl]-N-(oxolan-2-ylmethyl)ethanamine
CID 47646761
N-[(4-bromo-5-methylthiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)ethanamine
CID 106624626

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The IUPAC name of N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine (CID 103815711) is N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine.
What is the SMILES notation for N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The canonical SMILES for N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine is CCN(Cc1cccc(Br)c1)CC1CCCNC1.
What is the InChIKey of N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
The InChIKey is NAQBPZKTAPZKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23BrN2/c1-2-18(12-14-6-4-8-17-10-14)11-13-5-3-7-15(16)9-13/h3,5,7,9,14,17H,2,4,6,8,10-12H2,1H3.
What are the key properties of N-[(3-bromophenyl)methyl]-N-(piperidin-3-ylmethyl)ethanamine?
N-[(3-bromophenyl)methyl]-N-(piperidin-3-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-3-ylmethyl)ethanamine is sourced from PubChem (CID 103815711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).