2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride

C10H15Cl2N3 — CID 171699876

IUPAC2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride
SMILESCl.Clc1nccnc1CC1CCNCC1
InChIInChI=1S/C10H14ClN3.ClH/c11-10-9(13-5-6-14-10)7-8-1-3-12-4-2-8;/h5-6,8,12H,1-4,7H2;1H
InChIKeyBJTAKJQZSYKOOZ-UHFFFAOYSA-N
MW248.16 g/mol
LogP2.09
Rot. Bonds2

About 2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride

2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride (PubChem CID 171699876) has the molecular formula C10H15Cl2N3 and a molecular weight of 248.16 g/mol. Its IUPAC name is 2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride.

Molecular Properties

Compound Name2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride
PubChem CID171699876
Molecular FormulaC10H15Cl2N3
Molecular Weight248.16 g/mol
Exact Mass247.06
IUPAC Name2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride
SMILESCl.Clc1nccnc1CC1CCNCC1
InChIInChI=1S/C10H14ClN3.ClH/c11-10-9(13-5-6-14-10)7-8-1-3-12-4-2-8;/h5-6,8,12H,1-4,7H2;1H
InChIKeyBJTAKJQZSYKOOZ-UHFFFAOYSA-N
XLogP2.09
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-(piperidin-4-ylmethyl)pyridine
CID 115008688
N-[(3-chloropyrazin-2-yl)methyl]-N-methyl-1-[(3S)-pyrrolidin-3-yl]methanamine
CID 97164670
(3R)-N-[(3-chloropyrazin-2-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 71640607
N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641775
(3S)-N-[(3-chloropyrazin-2-yl)methyl]-N-methylpyrrolidin-3-amine;hydrochloride
CID 71641771
(4S)-4-[(3-phenylpyrazin-2-yl)methyl]azepane
CID 95844340
3-methoxy-2-(piperidin-4-ylmethyl)pyridine
CID 103840872
2-chloro-3-(piperazin-1-ylmethyl)pyrazine
CID 71640616
2-(piperidin-4-ylmethyl)-3-(2-propan-2-ylpyrazol-3-yl)pyrazine;hydrochloride
CID 171687287
3,5-difluoro-2-(piperidin-4-ylmethyl)pyridine
CID 170068814
2-chloro-3-(piperidin-3-ylmethoxymethyl)pyrazine
CID 71640652
2-chloro-3-[[(3S)-1-methylsulfonylpiperidin-3-yl]methyl]pyrazine
CID 95804524

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride?
The IUPAC name of 2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride (CID 171699876) is 2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride.
What is the SMILES notation for 2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride?
The canonical SMILES for 2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride is Cl.Clc1nccnc1CC1CCNCC1.
What is the InChIKey of 2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride?
The InChIKey is BJTAKJQZSYKOOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3.ClH/c11-10-9(13-5-6-14-10)7-8-1-3-12-4-2-8;/h5-6,8,12H,1-4,7H2;1H.
What are the key properties of 2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride?
2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride has a molecular weight of 248.16 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(piperidin-4-ylmethyl)pyrazine;hydrochloride is sourced from PubChem (CID 171699876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).