3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine

C13H20BrN3 — CID 113452023

IUPAC3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine
SMILESCCN1CCC(CNc2ccncc2Br)CC1
InChIInChI=1S/C13H20BrN3/c1-2-17-7-4-11(5-8-17)9-16-13-3-6-15-10-12(13)14/h3,6,10-11H,2,4-5,7-9H2,1H3,(H,15,16)
InChIKeyHGKBRZSUIMMSKS-UHFFFAOYSA-N
MW298.23 g/mol
LogP2.99
Rot. Bonds4

About 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine

3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine (PubChem CID 113452023) has the molecular formula C13H20BrN3 and a molecular weight of 298.23 g/mol. Its IUPAC name is 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine
PubChem CID113452023
Molecular FormulaC13H20BrN3
Molecular Weight298.23 g/mol
Exact Mass297.08
IUPAC Name3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine
SMILESCCN1CCC(CNc2ccncc2Br)CC1
InChIInChI=1S/C13H20BrN3/c1-2-17-7-4-11(5-8-17)9-16-13-3-6-15-10-12(13)14/h3,6,10-11H,2,4-5,7-9H2,1H3,(H,15,16)
InChIKeyHGKBRZSUIMMSKS-UHFFFAOYSA-N
XLogP2.99
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.23
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 104776821
5-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyrimidin-4-amine
CID 66340780
3-bromo-N-(oxolan-3-ylmethyl)pyridin-4-amine
CID 104776871
3-chloro-N-[(1-methylpyrrolidin-3-yl)methyl]pyridin-4-amine
CID 79841586
4-N-[(1-ethylpiperidin-4-yl)methyl]-1H-pyrazole-4,5-diamine
CID 114999006
N-[[1-(3-bromo-4-pyridinyl)piperidin-4-yl]methyl]propan-1-amine
CID 104779258
1-N-[(1-ethylpiperidin-4-yl)methyl]-3,5-difluorobenzene-1,2-diamine
CID 115506828
4-N-(cyclopropylmethyl)pyridine-3,4-diamine
CID 28902438
4-bromo-5-[(1-ethylpiperidin-4-yl)methylamino]-2-prop-2-ynylpyridazin-3-one
CID 114436224
1-(1-ethylpiperidin-4-yl)-N-(isoquinolin-5-ylmethyl)methanamine
CID 62825481
6-bromo-N-[(1-ethylpiperidin-4-yl)methyl]quinazolin-2-amine
CID 58829493
3-bromo-N-(4-propylcyclohexyl)pyridin-4-amine
CID 104776939

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine?
The IUPAC name of 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine (CID 113452023) is 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine?
The canonical SMILES for 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine is CCN1CCC(CNc2ccncc2Br)CC1.
What is the InChIKey of 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine?
The InChIKey is HGKBRZSUIMMSKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20BrN3/c1-2-17-7-4-11(5-8-17)9-16-13-3-6-15-10-12(13)14/h3,6,10-11H,2,4-5,7-9H2,1H3,(H,15,16).
What are the key properties of 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine?
3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine has a molecular weight of 298.23 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[(1-ethylpiperidin-4-yl)methyl]pyridin-4-amine is sourced from PubChem (CID 113452023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).