N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine

C15H24BrN3 — CID 114869508

IUPACN-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCc1cc(N2CCCC(CNC(C)C)C2)ncc1Br
InChIInChI=1S/C15H24BrN3/c1-11(2)17-8-13-5-4-6-19(10-13)15-7-12(3)14(16)9-18-15/h7,9,11,13,17H,4-6,8,10H2,1-3H3
InChIKeyJTBBVRPCQKLZMQ-UHFFFAOYSA-N
MW326.28 g/mol
LogP3.37
Rot. Bonds4

About N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine

N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine (PubChem CID 114869508) has the molecular formula C15H24BrN3 and a molecular weight of 326.28 g/mol. Its IUPAC name is N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
PubChem CID114869508
Molecular FormulaC15H24BrN3
Molecular Weight326.28 g/mol
Exact Mass325.12
IUPAC NameN-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
SMILESCc1cc(N2CCCC(CNC(C)C)C2)ncc1Br
InChIInChI=1S/C15H24BrN3/c1-11(2)17-8-13-5-4-6-19(10-13)15-7-12(3)14(16)9-18-15/h7,9,11,13,17H,4-6,8,10H2,1-3H3
InChIKeyJTBBVRPCQKLZMQ-UHFFFAOYSA-N
XLogP3.37
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.28
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methylamino]acetic acid
CID 106814312
2-[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]acetamide
CID 133403773
5-bromo-2-(3-chloropiperidin-1-yl)-4-methylpyridine
CID 114869912
2-methyl-4-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136977973
1-(5-bromo-4-methyl-2-pyridinyl)azepane
CID 53408181
1-[1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidin-3-yl]ethanamine
CID 114869616
6-(3-ethylpiperidin-1-yl)-4-methylpyridin-3-amine
CID 79173430
[1-(5-amino-4-methyl-2-pyridinyl)piperidin-3-yl]methanol
CID 79172728
N-[[1-(3,5-difluoro-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine
CID 112676134
5-bromo-2-[4-(1-bromoethyl)piperidin-1-yl]-4-methylpyridine
CID 106838653
1-(5-bromo-4-methyl-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 115773841
1-(5-bromo-4-methyl-2-pyridinyl)-3-methylpiperidin-4-amine
CID 114869588

Frequently Asked Questions

What is the IUPAC name of N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine (CID 114869508) is N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine is Cc1cc(N2CCCC(CNC(C)C)C2)ncc1Br.
What is the InChIKey of N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine?
The InChIKey is JTBBVRPCQKLZMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrN3/c1-11(2)17-8-13-5-4-6-19(10-13)15-7-12(3)14(16)9-18-15/h7,9,11,13,17H,4-6,8,10H2,1-3H3.
What are the key properties of N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine?
N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine has a molecular weight of 326.28 g/mol, XLogP of 3.37, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(5-bromo-4-methyl-2-pyridinyl)piperidin-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 114869508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).