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

C15H24BrN3 — CID 106622205

IUPACN-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cncc(Br)c1)CC1CCCCN1
InChIInChI=1S/C15H24BrN3/c1-12(2)19(11-15-5-3-4-6-18-15)10-13-7-14(16)9-17-8-13/h7-9,12,15,18H,3-6,10-11H2,1-2H3
InChIKeyYLVAVQFVUWMQRA-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.20
Rot. Bonds5

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

N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (PubChem CID 106622205) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.

Molecular Properties

Compound NameN-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
PubChem CID106622205
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
SMILESCC(C)N(Cc1cncc(Br)c1)CC1CCCCN1
InChIInChI=1S/C15H24BrN3/c1-12(2)19(11-15-5-3-4-6-18-15)10-13-7-14(16)9-17-8-13/h7-9,12,15,18H,3-6,10-11H2,1-2H3
InChIKeyYLVAVQFVUWMQRA-UHFFFAOYSA-N
XLogP3.20
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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-bromo-3-pyridinyl)methyl-(pyrrolidin-2-ylmethyl)amino]ethanol
CID 106606967
3-bromo-5-(2-fluoro-2-methyl-3-piperidin-2-ylpropyl)pyridine
CID 113462354
N-[(4-iodophenyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631924
N-(2,3-dihydro-1H-inden-5-ylmethyl)-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106631918
3-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622282
N-[(4-methyl-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106621945
3-fluoro-5-[[piperidin-2-ylmethyl(propan-2-yl)amino]methyl]phenol
CID 106622268
N-[(4,6-dichloro-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632234
N-[(4-chloro-6-methylpyrimidin-2-yl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine
CID 106632134
N-[(4-propan-2-yloxyphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)propan-2-amine
CID 106603065
(E)-N-(piperidin-2-ylmethyl)-N-propan-2-ylbut-2-en-1-amine
CID 106632187
N-ethyl-N-[[(2S)-piperidin-2-yl]methyl]propan-2-amine;molecular hydrogen
CID 164555849

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The IUPAC name of N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine (CID 106622205) is N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine.
What is the SMILES notation for N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The canonical SMILES for N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is CC(C)N(Cc1cncc(Br)c1)CC1CCCCN1.
What is the InChIKey of N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
The InChIKey is YLVAVQFVUWMQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-12(2)19(11-15-5-3-4-6-18-15)10-13-7-14(16)9-17-8-13/h7-9,12,15,18H,3-6,10-11H2,1-2H3.
What are the key properties of N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine?
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-2-ylmethyl)propan-2-amine is sourced from PubChem (CID 106622205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).