N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

C15H24BrN3 — CID 106623970

IUPACN-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc(Br)cn1)CC1CCCNC1
InChIInChI=1S/C15H24BrN3/c1-12(2)19(10-13-4-3-7-17-8-13)11-15-6-5-14(16)9-18-15/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyARVYBTXIYBLRIW-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.05
Rot. Bonds5

About N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine

N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (PubChem CID 106623970) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
PubChem CID106623970
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1ccc(Br)cn1)CC1CCCNC1
InChIInChI=1S/C15H24BrN3/c1-12(2)19(10-13-4-3-7-17-8-13)11-15-6-5-14(16)9-18-15/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3
InChIKeyARVYBTXIYBLRIW-UHFFFAOYSA-N
XLogP3.05
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(5-bromo-2-pyridinyl)methyl]-N-(cyclopropylmethyl)propan-2-amine
CID 115641200
N-[(4-bromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624142
5-bromo-2-(piperidin-3-ylmethoxy)pyridine;hydrochloride
CID 71303667
N-[(3-bromo-4-methylphenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624214
N-(piperidin-3-ylmethyl)-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]propan-2-amine
CID 106637462
N-[(2-bromo-5-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637553
N-[(4,5-dibromothiophen-2-yl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624273
N-[(2-chloro-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637770
N-(cycloheptylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106624258
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637480
2-methyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpropan-1-amine;hydrochloride
CID 119930509
5-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyridin-2-amine
CID 106642977

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The IUPAC name of N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine (CID 106623970) is N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is CC(C)N(Cc1ccc(Br)cn1)CC1CCCNC1.
What is the InChIKey of N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
The InChIKey is ARVYBTXIYBLRIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12(2)19(10-13-4-3-7-17-8-13)11-15-6-5-14(16)9-18-15/h5-6,9,12-13,17H,3-4,7-8,10-11H2,1-2H3.
What are the key properties of N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine?
N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-2-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine is sourced from PubChem (CID 106623970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).