5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride

C11H17BrClN3 — CID 71636378

IUPAC5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
SMILESBrc1ccc(NCC2CCNCC2)nc1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c12-10-1-2-11(15-8-10)14-7-9-3-5-13-6-4-9;/h1-2,8-9,13H,3-7H2,(H,14,15);1H
InChIKeyBNCSTROPEPQRFB-UHFFFAOYSA-N
MW306.63 g/mol
LogP2.68
Rot. Bonds3

About 5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride

5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride (PubChem CID 71636378) has the molecular formula C11H17BrClN3 and a molecular weight of 306.63 g/mol. Its IUPAC name is 5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
PubChem CID71636378
Molecular FormulaC11H17BrClN3
Molecular Weight306.63 g/mol
Exact Mass305.03
IUPAC Name5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
SMILESBrc1ccc(NCC2CCNCC2)nc1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c12-10-1-2-11(15-8-10)14-7-9-3-5-13-6-4-9;/h1-2,8-9,13H,3-7H2,(H,14,15);1H
InChIKeyBNCSTROPEPQRFB-UHFFFAOYSA-N
XLogP2.68
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-N-(piperidin-4-ylmethyl)pyridine-2,5-diamine
CID 117044535
5-bromo-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542194
N-(piperidin-4-ylmethyl)pyridin-2-amine;trihydrochloride
CID 162422883
5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine
CID 130956227
5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106125146
5-bromo-N-[(3R)-pyrrolidin-3-yl]pyridin-2-amine;hydrochloride
CID 71636366
5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 103582744
5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 76693034
5-bromo-2-(pyrrolidin-3-ylmethoxy)pyridine;hydrochloride
CID 71636388
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
N-(piperidin-4-ylmethyl)pyridazin-3-amine;hydrochloride
CID 69426435

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride?
The IUPAC name of 5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride (CID 71636378) is 5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride.
What is the SMILES notation for 5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride?
The canonical SMILES for 5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride is Brc1ccc(NCC2CCNCC2)nc1.Cl.
What is the InChIKey of 5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride?
The InChIKey is BNCSTROPEPQRFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3.ClH/c12-10-1-2-11(15-8-10)14-7-9-3-5-13-6-4-9;/h1-2,8-9,13H,3-7H2,(H,14,15);1H.
What are the key properties of 5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride?
5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride has a molecular weight of 306.63 g/mol, XLogP of 2.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride is sourced from PubChem (CID 71636378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).