5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine

C14H22BrN3 — CID 114194238

IUPAC5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine
SMILESCCCN(CC1CCNCC1)c1cncc(Br)c1
InChIInChI=1S/C14H22BrN3/c1-2-7-18(11-12-3-5-16-6-4-12)14-8-13(15)9-17-10-14/h8-10,12,16H,2-7,11H2,1H3
InChIKeyIRGDTHSGMFLBTH-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.06
Rot. Bonds5

About 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine

5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine (PubChem CID 114194238) has the molecular formula C14H22BrN3 and a molecular weight of 312.25 g/mol. Its IUPAC name is 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine.

Molecular Properties

Compound Name5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine
PubChem CID114194238
Molecular FormulaC14H22BrN3
Molecular Weight312.25 g/mol
Exact Mass311.10
IUPAC Name5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine
SMILESCCCN(CC1CCNCC1)c1cncc(Br)c1
InChIInChI=1S/C14H22BrN3/c1-2-7-18(11-12-3-5-16-6-4-12)14-8-13(15)9-17-10-14/h8-10,12,16H,2-7,11H2,1H3
InChIKeyIRGDTHSGMFLBTH-UHFFFAOYSA-N
XLogP3.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719331
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridine-3-sulfonamide
CID 79703113
5-bromo-N-ethyl-N-(piperidin-3-ylmethyl)pyridin-3-amine
CID 114194260
5-bromo-N-cyclopropyl-N-propylpyridin-3-amine
CID 104531553
5-bromo-N-(cyclopentylmethyl)-N-methylpyridin-3-amine
CID 115657325
5-bromo-N-piperidin-4-yl-N-propylpyridine-3-sulfonamide;hydrochloride
CID 119994034
5-nitro-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719258
N-(piperidin-4-ylmethyl)-N-propylquinazolin-2-amine
CID 114789514
3-nitro-N-(piperidin-4-ylmethyl)-N-propylpyridin-4-amine
CID 79719980
5-bromo-N-cyclopropyl-N-(piperidin-4-ylmethyl)pyridine-3-sulfonamide
CID 79701921
N-[(5-bromo-3-pyridinyl)methyl]-N-(piperidin-3-ylmethyl)propan-1-amine
CID 106625380
4-ethoxy-6-methyl-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 115973542

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine?
The IUPAC name of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine (CID 114194238) is 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine.
What is the SMILES notation for 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine?
The canonical SMILES for 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine is CCCN(CC1CCNCC1)c1cncc(Br)c1.
What is the InChIKey of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine?
The InChIKey is IRGDTHSGMFLBTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22BrN3/c1-2-7-18(11-12-3-5-16-6-4-12)14-8-13(15)9-17-10-14/h8-10,12,16H,2-7,11H2,1H3.
What are the key properties of 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine?
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine has a molecular weight of 312.25 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyridin-3-amine is sourced from PubChem (CID 114194238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).