1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride

C11H17BrClN3 — CID 71639563

IUPAC1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1Cc1ccnc(Br)c1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c1-9-7-13-4-5-15(9)8-10-2-3-14-11(12)6-10;/h2-3,6,9,13H,4-5,7-8H2,1H3;1H
InChIKeyLKCRBTVCCYEKHB-UHFFFAOYSA-N
MW306.63 g/mol
LogP2.06
Rot. Bonds2

About 1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride

1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride (PubChem CID 71639563) has the molecular formula C11H17BrClN3 and a molecular weight of 306.63 g/mol. Its IUPAC name is 1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride.

Molecular Properties

Compound Name1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride
PubChem CID71639563
Molecular FormulaC11H17BrClN3
Molecular Weight306.63 g/mol
Exact Mass305.03
IUPAC Name1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride
SMILESCC1CNCCN1Cc1ccnc(Br)c1.Cl
InChIInChI=1S/C11H16BrN3.ClH/c1-9-7-13-4-5-15(9)8-10-2-3-14-11(12)6-10;/h2-3,6,9,13H,4-5,7-8H2,1H3;1H
InChIKeyLKCRBTVCCYEKHB-UHFFFAOYSA-N
XLogP2.06
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(2S)-1-[(2-chloro-4-pyridinyl)methyl]-2-methylpiperazine
CID 82705581
(2S)-2-methyl-1-(pyridin-4-ylmethyl)piperazine
CID 82756317
1-[(4-chloro-2-pyridinyl)methyl]-2-methylpiperazine
CID 79255463
1-[(4-iodophenyl)methyl]-2-methylpiperazine;hydrochloride
CID 119916408
(2S)-1-[(3-chloro-4-methylphenyl)methyl]-2-methylpiperazine;hydrochloride
CID 120839112
1-(2,3-dihydro-1H-inden-5-ylmethyl)-2-methylpiperazine;hydrochloride
CID 119916469
(2R)-1-[(6-iodo-3-pyridinyl)methyl]-2-methylpiperazine
CID 134406698
(2R)-1-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-methylpiperazine
CID 95656913
(2R)-2-methyl-1-(pyridin-2-ylmethyl)piperazine
CID 67972243
4-[[(2S)-2-methylpiperazin-1-yl]methyl]benzoic acid;hydrochloride
CID 135156370
(2R)-1-[(4-chloro-3-fluorophenyl)methyl]-2-methylpiperazine
CID 95656909
1-[(3-chloro-4-methoxyphenyl)methyl]-2-methylpiperazine
CID 82299031

Frequently Asked Questions

What is the IUPAC name of 1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride?
The IUPAC name of 1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride (CID 71639563) is 1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride.
What is the SMILES notation for 1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride?
The canonical SMILES for 1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride is CC1CNCCN1Cc1ccnc(Br)c1.Cl.
What is the InChIKey of 1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride?
The InChIKey is LKCRBTVCCYEKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3.ClH/c1-9-7-13-4-5-15(9)8-10-2-3-14-11(12)6-10;/h2-3,6,9,13H,4-5,7-8H2,1H3;1H.
What are the key properties of 1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride?
1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride has a molecular weight of 306.63 g/mol, XLogP of 2.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-bromo-4-pyridinyl)methyl]-2-methylpiperazine;hydrochloride is sourced from PubChem (CID 71639563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).